(2E,6E)-6,11-Dimethyl-2,6,10-dodecatrien-1-ol
PubChem CID: 5365863
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| Compound Synonyms | SCHEMBL23802659, SCHEMBL23802660, BVLIMWXCOVQDNN-JPYRNUIHSA-N, 6,11-Dimethyldodeca-2,6,10-trien-1-ol, (2E,6E)-6,11-Dimethyl-2,6,10-dodecatrien-1-ol, (2E,6E)-6,11-Dimethyl-2,6,10-dodecatrien-1-ol # |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E)-6,11-dimethyldodeca-2,6,10-trien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C14H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | BVLIMWXCOVQDNN-JPYRNUIHSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -4.209 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.725 |
| Compound Name | (2E,6E)-6,11-Dimethyl-2,6,10-dodecatrien-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 208.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.271639 |
| Inchi | InChI=1S/C14H24O/c1-13(2)9-6-7-11-14(3)10-5-4-8-12-15/h4,8-9,11,15H,5-7,10,12H2,1-3H3/b8-4+,14-11+ |
| Smiles | CC(=CCC/C=C(\C)/CC/C=C/CO)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhodiola Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients