Virelure
PubChem CID: 5283305
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| Compound Synonyms | (Z)-Hexadec-11-en-1-ol, 56683-54-6, Virelure, (Z)-11-Hexadecen-1-ol, (Z)-11-HEXADECENOL, 11-Hexadecen-1-ol, (Z)-, cis-11-Hexadecen-1-ol, 11Z-hexadecen-1-ol, Z-11-hexadecen-1-ol, RYZ05BI8ZT, EINECS 260-337-6, AI3-35169, hexadecan-11Z-en-1-ol, DTXSID0041191, UNII-RYZ05BI8ZT, MFCD00451150, (11Z)-11-Hexadecen-1-ol, 11-Hexadecen-1-ol, (Z)-, (11Z)-11-Hexadecen-1-ol, (Z)-11-Hexadecen-1-ol, (Z)-11-Hexadecenol, cis-11-Hexadecen-1-ol, 11-Hexadecenol, (Z)-, SCHEMBL557030, DTXCID8021191, (11Z)-hexadec-11-en-1-ol, CHEBI:179362, LMFA05000056, MFCD00010504, AKOS015839808, NS00022395, Q27288347, (Z)-11-Hexadecen-1-ol 100 microg/mL in Acetonitrile, 260-337-6 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Description | 1-hexadecenol is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, 1-hexadecenol is considered to be a fatty alcohol lipid molecule. 1-hexadecenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 1-hexadecenol can be found in garden onion, which makes 1-hexadecenol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-hexadec-11-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C16H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHVMNRHQWXIJIS-WAYWQWQTSA-N |
| Fcsp3 | 0.875 |
| Logs | -3.656 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.975 |
| Synonyms | (11Z)-11-Hexadecen-1-ol, (Z)-11-Hexadecen-1-ol, (Z)-Hexadec-11-en-1-ol, 11-Hexadecen-1-ol, (11Z)-, 11-Hexadecen-1-ol, (Z)-, 11-hexadecenol, Z, cis-11-Hexadecen-1-ol, hexadecan-11Z-en-1-ol, Virelure |
| Compound Name | Virelure |
| 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 | -4.479472199999998 |
| Inchi | InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3/b6-5- |
| Smiles | CCCC/C=C\CCCCCCCCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients