3-Cyclohexen-1-ol,2-methylene-5-(1-methylethyl)-,(1S-trans)-(9CI)
PubChem CID: 11446451
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| Compound Synonyms | 114179-04-3, 3-Cyclohexen-1-ol,2-methylene-5-(1-methylethyl)-,(1S-trans)-(9CI), (1S,5R)-2-methylidene-5-propan-2-ylcyclohex-3-en-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,5R)-2-methylidene-5-propan-2-ylcyclohex-3-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | VKAGFXRPRUAOHV-ZJUUUORDSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.686 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.051 |
| Compound Name | 3-Cyclohexen-1-ol,2-methylene-5-(1-methylethyl)-,(1S-trans)-(9CI) |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0723694 |
| Inchi | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,7,9-11H,3,6H2,1-2H3/t9-,10+/m1/s1 |
| Smiles | CC(C)[C@H]1C[C@@H](C(=C)C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients