Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1R,3R,4S,5S)-
PubChem CID: 12304609
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| Compound Synonyms | (+)-thujan-3-ol, (+)-Thujol, 3284-85-3, DTXSID50883966, Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1R,3R,4S,5S)-, (1R,3R,4S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol, (1R,3R,4S,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol, (1R,3R,4S,5S)-4-methyl-1(propan-2-yl)bicyclo[3.1.0]hexan-3-ol, (1R,3R,4S,5S)-4-methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol, Bicyclo(3.1.0)hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1R,3R,4S,5S)-, Thujylalkohol, CHEBI:63902, DZVXRFMREAADPP-AXTSPUMRSA-N, DTXCID001023441, Q27132904 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,3R,4S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZVXRFMREAADPP-AXTSPUMRSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.442 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.727 |
| Compound Name | Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1R,3R,4S,5S)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3368686 |
| Inchi | InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+,10+/m0/s1 |
| Smiles | C[C@H]1[C@@H]2C[C@@]2(C[C@H]1O)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients