15-Oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 12-isopropyl-1,5,9-trimethyl-
PubChem CID: 9904641
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| Compound Synonyms | Incensole, 15-Oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 12-isopropyl-1,5,9-trimethyl-, SCHEMBL13394034, SSBZLMMXFQMHDP-WPNGSOMFSA-N, 22419-74-5, (5E,9E)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, (1S,2R,5E,9E,12R)-12-Isopropyl-1,5,9-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 15-Oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 1,5,9-trimethyl-12-(1-methylethyl)-, (1R*,2S*,5E,9E,12S*)-, 15-Oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 1,5,9-trimethyl-12-(1-methylethyl)-, (1S,2R,5E,9E,12R)- |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5E,9E)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SSBZLMMXFQMHDP-WPNGSOMFSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.788 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.2 |
| Compound Name | 15-Oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 12-isopropyl-1,5,9-trimethyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.282438 |
| Inchi | InChI=1S/C20H34O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+ |
| Smiles | C/C/1=C\CC/C(=C/CC2(CCC(O2)(C(CC1)O)C)C(C)C)/C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Carterii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all