| CAS Number | 53723-35-6 |
| Catalog Number | AG01ABLP(AGN-PC-0091Q4) |
| Chemical Name | 2,2-dimethylhex-5-yn-3-ol |
| IUPAC Name | 2,2-dimethylhex-5-yn-3-ol |
| InChI | InChI=1S/C8H14O/c1-5-6-7(9)8(2,3)4/h1,7,9H,6H2,2-4H3 |
| InChI Key | LXTKFMYMEUWRJA-UHFFFAOYSA-N |
| MDL Number | MFCD16698309 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CC(C(CC#C)O)(C)C |
| Synonyms | 2,2-dimethylhex-5-yn-3-ol,
53723-35-6,
5-Hexyn-3-ol, 2,2-dimethyl-, (3R)-,
ACMC-20mr4d,
5,5-dimethyl-1-hexyn-4-ol,
SCHEMBL8427040,
2,2-Dimethyl-5-hexyne-3-ol,
LXTKFMYMEUWRJA-UHFFFAOYSA-N,
124601-02-1,
AKOS011517572,
MCULE-9989503890,
NE16065,
Z1675167276,
CID11804766,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number