3,6,6-Trimethyl-cyclohex-2-enol
PubChem CID: 558613
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| Compound Synonyms | 3,6,6-Trimethyl-cyclohex-2-enol, 73741-62-5, 2-Cyclohexen-1-ol, 3,6,6-trimethyl-, DTXSID40339780, NIIOBBZRLOQONL-UHFFFAOYSA-N, 3,6,6-Trimethyl-2-cyclohexen-1-ol # |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6,6-trimethylcyclohex-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C9H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NIIOBBZRLOQONL-UHFFFAOYSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -2.181 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.608 |
| Compound Name | 3,6,6-Trimethyl-cyclohex-2-enol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7993012000000002 |
| Inchi | InChI=1S/C9H16O/c1-7-4-5-9(2,3)8(10)6-7/h6,8,10H,4-5H2,1-3H3 |
| Smiles | CC1=CC(C(CC1)(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients