(5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol
PubChem CID: 6364638
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (E)-2,6,10-Trimethylundeca-5,9-dienol, 58001-88-0, (5E)-2,6,10-trimethylundeca-5,9-dien-1-ol, DTXSID601269651, (5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol, EINECS 261-070-8, (E)-dehydro-apofarnesol, (E)-2,6,10-Trimethyl-5,9-undecadien-1-ol, SCHEMBL2425211, DTXCID00909741, DB-215123, NS00013312, 5,9-Undecadien-1-ol, 2,6,10-trimethyl-, (E)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5E)-2,6,10-trimethylundeca-5,9-dien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C14H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | SVHDKVPXRARVAO-UKTHLTGXSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -4.325 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.033 |
| Compound Name | (5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 210.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.5235381999999995 |
| Inchi | InChI=1S/C14H26O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,9,14-15H,5-6,8,10-11H2,1-4H3/b13-9+ |
| Smiles | CC(CC/C=C(\C)/CCC=C(C)C)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients