(E)-hexadec-2-en-1-ol
PubChem CID: 5362706
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| Compound Synonyms | (E)-hexadec-2-en-1-ol, (E)-2-Hexadecen-1-ol, 26993-32-8, (2E)-2-Hexadecen-1-ol, 2-Hexadecen-1-ol, E-2-Hexadecacen-1-ol, trans-2-hexadecenol, starbld0003021, SCHEMBL1265793, (2E)-2-Hexadecen-1-ol #, DTXSID101020838, DB-247218 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hexadec-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C16H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MIDSQDHRRBSMIZ-CCEZHUSRSA-N |
| Fcsp3 | 0.875 |
| Logs | -5.219 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.232 |
| Compound Name | (E)-hexadec-2-en-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 240.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.7629722 |
| Inchi | InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-15,17H,2-13,16H2,1H3/b15-14+ |
| Smiles | CCCCCCCCCCCCC/C=C/CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients