(1S,3Z,7E,11E)-4,8,12-Trimethyl-1-(propan-2-yl)cyclotetradeca-3,7,11-trien-1-ol
PubChem CID: 71312555
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 67814-27-1, DTXSID60746876, (1S,3Z,7E,11E)-4,8,12-Trimethyl-1-(propan-2-yl)cyclotetradeca-3,7,11-trien-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S,3Z,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-3,7,11-trien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C20H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVWXZFYWLABNOW-RZAIGMNLSA-N |
| Fcsp3 | 0.7 |
| Logs | -5.141 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.352 |
| Compound Name | (1S,3Z,7E,11E)-4,8,12-Trimethyl-1-(propan-2-yl)cyclotetradeca-3,7,11-trien-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 290.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.2605442 |
| Inchi | InChI=1S/C20H34O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,21H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12-,19-11+/t20-/m1/s1 |
| Smiles | C/C/1=C\CC/C(=C\C[C@@](CC/C(=C/CC1)/C)(C(C)C)O)/C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Carterii (Plant) Rel Props:Source_db:cmaup_ingredients