(R)-Sesquilavandulol
PubChem CID: 11831047
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| Compound Synonyms | (R)-Sesquilavandulol, 5,9-dimethyl-2R-(prop-1-en-2-yl)deca-4E,8-dien-1-ol, LMPR0103030002 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R,4E)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JTSPVWIYQLSMER-HNRFISLBSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.341 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.975 |
| Compound Name | (R)-Sesquilavandulol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.831106399999999 |
| Inchi | InChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9+/t15-/m0/s1 |
| Smiles | CC(=CCC/C(=C/C[C@@H](CO)C(=C)C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Source_db:cmaup_ingredients