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| CAS Number | 98-52-2 |
| Catalog Number | AG00IK09(AGN-PC-0JK82K) |
| Chemical Name | Cyclohexanol, 4-(1,1-dimethylethyl)- |
| FEMA Number | 4724 |
| IUPAC Name | 4-tert-butylcyclohexan-1-ol |
| InChI | InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3 |
| InChI Key | CCOQPGVQAWPUPE-UHFFFAOYSA-N |
| MDL Number | MFCD00001473 |
| Molecular Formula | C10H20O |
| Molecular Weight | 156.2652 |
| NSC Number | 404197 |
| SMILES | C(C)(C)(C)C1CCC(CC1)O |
| Synonyms | 4-tert-butylcyclohexanol,
trans-4-tert-butylcyclohexanol,
4-tert-Butylcyclohexanol,
98-52-2,
cis-4-tert-Butylcyclohexanol,
937-05-3,
trans-4-tert-butylcyclohexanol,
4-(tert-Butyl)cyclohexanol,
cis-4-(tert-Butyl)cyclohexanol,
21862-63-5,
4-tert-butylcyclohexan-1-ol,
Cyclohexanol, 4-(1,1-dimethylethyl)-,
Padaryl,
p-tert-Butylcyclohexanol,
trans-4-(tert-Butyl)cyclohexanol,
CYCLOHEXANOL, 4-tert-BUTYL-,
USAF DO-20,
Cyclohexanol, 4-(1,1-dimethylethyl)-, cis-,
4-t-Butylcyclohexanol,
Cyclohexanol, 4-(1,1-dimethylethyl)-, trans-,
4-tert-Butyl cyclohexanol,
UNII-L5067JRJ73,
Cyclohexanol, 4-tert-butyl-, cis-,
EINECS 202-676-4,
UNII-F5FZ4Y0UMG,
F5FZ4Y0UMG,
NSC 404197,
BRN 1902277,
AI3-02503,
4-(tert-butyl)cyclohexan-1-ol,
CCOQPGVQAWPUPE-DTORHVGOSA-N,
CCOQPGVQAWPUPE-KYZUINATSA-N,
CCOQPGVQAWPUPE-UHFFFAOYSA-N,
L5067JRJ73,
4-tert-Butylcyclohexanol, mixture of cis and trans,
UNII-K0H1405S9C,
4-Tert-Butylcyclohexanol, Mixture of Isomers,
DSSTox_CID_6623,
DSSTox_RID_78166,
4-tert-butyl-1-cyclohexanol,
DSSTox_GSID_26623,
CAS-98-52-2,
K0H1405S9C,
4-tert-Butylcyclohexanol, 99%, mixture of isomers,
4-tert-Butylcyclohexanol, cis-,
cis-4-tert-Butylcyclohexan-1-ol,
EINECS 213-321-8,
3-XYLENEDIAMINE,
4-terbutyl-cyclohexanol,
PubChem10844,
PubChem15187,
ACMC-209fow,
p-tert.Butylcyclohexanol,
ACMC-1CDXH,
AC1L1ONM,
AC1Q1MFF,
p-tert-butyl cyclohexanol,
4-tert-butyl-cyclohexanol,
Cis-4-t-butylcyclohexanol,
4-t-butyl-1-cyclohexanol,
ACMC-209rn5,
cis-4-tertbutylcyclohexanol,
EC 202-676-4,
4-tert.-Butyl-cyclohexanol,
AC1Q7A3T,
cis-4-Tert-butylcyclhexanol,
trans-4-t-butylcyclohexanol,
Hexahydro-p-tert-butylphenol,
cis 4-tert-Butylcyclohexanol,
cis-4-(t-butyl)cyclohexanol,
4-tert-Butylcyclohexanol,c&t,
1-06-00-00018 (Beilstein Handbook Reference),
KSC487A2F,
cis 4-tert-Butyl-cyclohexanol,
cis-4-tert-butyl cyclohexanol,
cis-4-tert-Butyl-cyclohexanol,
SCHEMBL114150,
SCHEMBL579272,
SCHEMBL579573,
(E)-4-tert-Butylcyclohexanol,
4-tert-butyl-cyclohexan-1-ol,
Cyclohexanol,1-dimethylethyl)-,
(E)-4-tert-butyl cyclohexanol,
cis-4-tert.-butyl-cyclohexanol,
SCHEMBL7752973,
SCHEMBL8365597,
BUTYLCYCLOHEXANOL; 95%,
trans 4-tert-Butyl-cyclohexanol,
trans-4-tert-butyl cyclohexanol,
trans-4-tert-Butyl-cyclohexanol,
CHEMBL1886723,
DTXSID5026623,
cis-4-tert-butyl-1-cyclohexanol,
CTK3I7022,
CTK5H2846,
CTK8B1208,
KS-00000EYA,
4-tert-Butylcyclohexanol, (Z)-,
4-tert-Butylcyclohexanol, trans-,
(E)-4-tert-butylcyclohexan-1-ol,
(1r,4r)-4-tert-butylcyclohexanol,
(1s,4s)-4-tert-butylcyclohexanol,
STR03673,
ZINC1597124,
Tox21_201515,
Tox21_303090,
4alpha-tert-Butyl-1beta-cyclohexanol,
ANW-24606,
ANW-40095,
ANW-43839,
BBL019113,
MFCD00001473,
MFCD00064952,
MFCD00070476,
NSC404197,
SBB060944,
STL199047,
AKOS000120382,
AKOS015837822,
AKOS015837824,
ZINC100006871,
ZINC100012347,
LS30069,
MCULE-5478213822,
NSC-404197,
RL06115,
RP22055,
RTR-030330,
TRA0077902,
KS-0000143S,
NCGC00164215-01,
NCGC00164215-02,
NCGC00256931-01,
NCGC00259065-01,
AJ-27870,
AK111148,
AN-24483,
CJ-05654,
CJ-25626,
L779,
LS-57054,
SC-16219,
WLN: L6TJ AX1 & 1 & 1 DQ,
Cyclohexanol,4-(1,1-dimethylethyl)-,cis-,
DB-045718,
DB-080541,
TR-010252,
TR-029325,
TR-030330,
4-tert-Butylcyclohexanol(mixture of isomers),
B0383,
FT-0619477,
FT-0638157,
FT-0687850,
ST24032714,
ST24046342,
ST50411205,
T8329,
EC 700-127-8,
F10211,
862B635,
A815716,
A844682,
A845870,
4-tert-Butylcyclohexanol (cis- and trans- mixture),
I14-5841,
I14-6530,
Q-200399,
I14-14930,
I14-21190,
4-tert-Butylcyclohexanol, mixture of cis and trans, 98%,
F0001-2316,
Z1258992401,
UNII-K0H1405S9C component CCOQPGVQAWPUPE-DTORHVGOSA-N,
UNII-K0H1405S9C component CCOQPGVQAWPUPE-KYZUINATSA-N,
butyl,
4 - tert - butylcyclohexanol,
C10H20O,
CID7391,
AR-1G4707,
C10-H20-O,
Ciclohexanol, 4-(1,1-dimetiletil)-,
ACN-052677,
CB11484,
B1270,
B1271,
C557786,
4-tert-Butylcyclohexanol, 99%, mixture of cis and trans - 100G 100g,
1055412-47-9,
6238-04-6,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.269g/mol |
| Monoisotopic Mass | 156.151g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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