4-Ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol
PubChem CID: 91753281
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| Compound Synonyms | JBNNEBXFMFDBSS-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 223.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C11H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JBNNEBXFMFDBSS-UHFFFAOYSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -2.842 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.674 |
| Compound Name | 4-Ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 166.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2160368000000004 |
| Inchi | InChI=1S/C11H18O/c1-5-10-8(2)6-9(12)7-11(10,3)4/h5,9,12H,1,6-7H2,2-4H3 |
| Smiles | CC1=C(C(CC(C1)O)(C)C)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients