4(10)-Thujen-3-ol, (1S,3R,5S)-(+)-
PubChem CID: 564260
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| Compound Synonyms | 4(10)-Thujen-3-ol, (1S,3R,5S)-(+)-, Sabinol, (+)-Sabinol, Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1.alpha.,3.beta.,5.alpha.)]-, 59905-55-4, Sabinol, (+)-, SCHEMBL17634344, DTXSID30871442, DTXSID50340367, MDFQXBNVOAKNAY-UHFFFAOYSA-N, NS00042316, 1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol #, 4-Methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol, Bicyclo[3.1.0]hexan-3-ol,4-methylene-1-(1-methylethyl)-,(1S,3R,5S)- |
|---|---|
| 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 | 0.0 |
| Iupac Name | 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-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.158 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.8 |
| Compound Name | 4(10)-Thujen-3-ol, (1S,3R,5S)-(+)- |
| 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 |
| Smiles | CC(C)C12CC1C(=C)C(C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Juniperus Sabina (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Schinus Terebinthifolia (Plant) Rel Props:Source_db:cmaup_ingredients