Heneicosanol
PubChem CID: 85014
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| Compound Synonyms | 1-Heneicosanol, Heneicosanol, 15594-90-8, henicosan-1-ol, Heneicosyl Alcohol, Henicosanol, Heneicosan-1-ol, N-HENEICOSANOL, n-henicosanol, Heneicosylalkohol, henicosyl alcohol, n-Heneikosylalkohol, 15BB7P0F03, EINECS 239-673-2, MFCD00062834, 1-Henicosanol, n-C21H43OH, UNII-15BB7P0F03, CHEBI:78410, DTXSID70935330, SCHEMBL103723, C21H44O, DTXCID201363962, Heneicosanol, >=98.5% (GC), AKOS015839827, AS-56401, DB-250424, HY-134645, CS-0146641, H0011, NS00051072, T71853, Q27147812, 3DB8B333-539F-4CD9-80D1-07BEBB581BF1, 1070970-62-5 |
|---|---|
| Ghose Rule | False |
| 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 | CCCCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | henicosan-1-ol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H44O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FIPPFBHCBUDBRR-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -6.976 |
| Rotatable Bond Count | 19.0 |
| Logd | 4.222 |
| Synonyms | 1-heneicosanol, heneicosanol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | Heneicosanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.339 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.339 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 312.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -6.7106084 |
| Inchi | InChI=1S/C21H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h22H,2-21H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Ammi Majus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643749 - 2. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Oenothera Biennis (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1466 - 5. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1553637