Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1alpha,3alpha,5alpha)]-(9CI)
PubChem CID: 12315160
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| Compound Synonyms | 139757-63-4, Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1alpha,3alpha,5alpha)]- (9CI), (1S,3S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol, 4(10)-Thujen-3-ol, (1R,3R,5R)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol, Bicyclo[3.1.0]hexan-3-ol,4-methylene-1-(1-methylethyl)-,[1s-(1alpha,3alpha,5alpha)]-(9ci) |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,3S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | MDFQXBNVOAKNAY-UTLUCORTSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.728 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.737 |
| Compound Name | Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1alpha,3alpha,5alpha)]-(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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8455693999999996 |
| Inchi | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9+,10+/m1/s1 |
| Smiles | CC(C)[C@@]12C[C@@H]1C(=C)[C@H](C2)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients