2-(4-Ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-ol
PubChem CID: 547972
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| Compound Synonyms | 2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-ol, o-Menth-8-ene-4-methanol, alpha,alpha-dimethyl-1-vinyl-, (1S,2S,4R)-(-)-, o-Menth-8-ene-4-methanol, .alpha.,.alpha.-dimethyl-1-vinyl-, (1S,2S,4R)-(-)-, Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, [1R-(1.alpha.,3.alpha.,4.beta.)]-, SCHEMBL310098, GFJIQNADMLPFOW-UHFFFAOYSA-, DTXSID10859521, 2-(3-Isopropenyl-4-methyl-4-vinylcyclohexyl)-2-propanol #, 2-(3-isopropenyl-4-methyl-4-vinylcyclohexyl)propan-2-ol, 2-[4-ETHENYL-4-METHYL-3-(PROP-1-EN-2-YL)CYCLOHEXYL]PROPAN-2-OL, InChI=1/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | GFJIQNADMLPFOW-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.015 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.7 |
| Compound Name | 2-(4-Ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7990064 |
| Inchi | InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3 |
| Smiles | CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients