Pinocarveol, cis-(+/-)-
PubChem CID: 10931630
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| Compound Synonyms | Isopinocarveol, Pinocarveol, cis-(+/-)-, 2(10)-Pinen-3-ol, cis-, cis-Pinocarveol, UNII-31P964S048, 6712-79-4, trans-Pinocarveol, 31P964S048, Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, (1R,3R,5R)-rel-, DTXSID00217419, Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, (1alpha,3beta,5alpha)-, BICYCLO(3.1.1)HEPTAN-3-OL, 6,6-DIMETHYL-2-METHYLENE-, (1.ALPHA.,3.BETA.,5.ALPHA.)-, (1R,3R,5R)-6,6-dimethyl-2-methylidenebicyclo(3.1.1)heptan-3-ol, (1R,3R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol, Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, (1.alpha.,3.beta.,5.alpha.)-, cis-(+/-)-pinocarveol, DTXCID50139910, NS00081452, Q27256073, Bicyclo[3.1.1]heptan-3-ol,6,6-dimethyl-2-methylene-,(1R,3S,5R)-rel- |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,3R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LCYXQUJDODZYIJ-HRDYMLBCSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.861 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.451 |
| Compound Name | Pinocarveol, cis-(+/-)- |
| 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 | -1.9115693999999996 |
| Inchi | InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9-/m1/s1 |
| Smiles | CC1([C@@H]2C[C@H]1C(=C)[C@@H](C2)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all