3-Hexanol, 3-methyl-
PubChem CID: 11708
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-METHYL-3-HEXANOL, 597-96-6, 3-Methylhexan-3-ol, 3-Hexanol, 3-methyl-, 2-Ethyl-2-pentanol, 3-Methyl-hexanol-(3), EINECS 209-910-4, NSC 27229, BRN 1719032, DTXSID90870658, 4-01-00-01749 (Beilstein Handbook Reference), 3-Methyl-hexanol-(3) [German], MFCD00021839, NSC27229, SCHEMBL308697, DTXCID90818358, NSC-27229, AKOS009156554, NS00043314, 209-910-4 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylhexan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C7H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KYWJZCSJMOILIZ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.07 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.338 |
| Compound Name | 3-Hexanol, 3-methyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 116.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5846647999999999 |
| Inchi | InChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3 |
| Smiles | CCCC(C)(CC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients