| CAS Number | 27373-94-0 |
| Catalog Number | AG01DWAJ(AGN-PC-0R37HK) |
| Chemical Name | [(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]methanol |
| IUPAC Name | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol |
| InChI | InChI=1S/C11H22O/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-12H,4-7H2,1-3H3/t9-,10+,11+/m1/s1 |
| InChI Key | AEFLYRHUYOYCLW-VWYCJHECSA-N |
| MDL Number | MFCD30269134 |
| Molecular Formula | C11H22O |
| Molecular Weight | 170.2918 |
| SMILES | OC[C@H]1[C@H](C(C)C)CC[C@@H](C)C1 |
| Synonyms | [(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]methanol,
27373-94-0,
SCHEMBL7747412,
(1R)-2alpha-Isopropyl-5beta-methylcyclohexane-1beta-methanol,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.167065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.29g/mol |
| Monoisotopic Mass | 170.167065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number