7,7-Dimethyl-4-methylenebicyclo[4.1.0]heptan-3-ol
PubChem CID: 534564
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| Compound Synonyms | 7,7-Dimethyl-4-methylenebicyclo[4.1.0]heptan-3-ol, 1753-35-1, (E)-3(10)-Caren-4-ol, 7,7-dimethyl-4-methylidenebicyclo[4.1.0]heptan-3-ol, SCHEMBL11245970, BKSIPWIAFSUQKX-UHFFFAOYSA-N, SY325872, 7,7-Dimethyl-4-methylenebicyclo[4.1.0]heptan-3-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 | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,7-dimethyl-4-methylidenebicyclo[4.1.0]heptan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BKSIPWIAFSUQKX-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.498 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.613 |
| Compound Name | 7,7-Dimethyl-4-methylenebicyclo[4.1.0]heptan-3-ol |
| Prediction Hob Swissadme | 0.0 |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8611693999999996 |
| Inchi | InChI=1S/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h7-9,11H,1,4-5H2,2-3H3 |
| Smiles | CC1(C2C1CC(=C)C(C2)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients