(E)-11-Hexadecen-1-ol
PubChem CID: 5352278
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| Compound Synonyms | (E)-Hexadec-11-en-1-ol, 61301-56-2, (E)-11-HEXADECENOL, 11E-Hexadecen-1-ol, (e)-11-hexadecen-1-ol, E-11-Hexadecen-1-ol, EINECS 262-704-6, DTXSID301314637, 11-Hexadecen-1-ol, (11E)-, MFCD00451150, (11E)-11-Hexadecen-1-ol, 11-Hexadecen-1-ol, SCHEMBL292334, (11E)-hexadec-11-en-1-ol, DTXCID50209743, CHEBI:179361, (11E)-11-Hexadecen-1-ol #, LMFA05000195, AKOS015839816, BS-49650, CS-0152446, NS00086501, E76160, 262-704-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCC/C=C/CCCCCCCCCCO |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hexadec-11-en-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHVMNRHQWXIJIS-AATRIKPKSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.875 |
| Logs | -5.883 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.255 |
| Synonyms | hexadec-(11e)-en-1-ol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | (E)-11-Hexadecen-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 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| 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 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Anaphalis Margaritacea (Plant) Rel Props:Reference:https://doi.org/10.20959/wjpr201714-9923 - 2. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all