Heptacosan-14-ol
PubChem CID: 3084559
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Heptacosan-14-ol, 14-Heptacosanol, 32116-10-2, 7VMF3VH51O, EINECS 250-926-6, Dimyrstylcarbinol, UNII-7VMF3VH51O, DTXSID60185903, SCHEMBL17336094, DTXCID60108394, XHGCEYVOGZHRLW-UHFFFAOYSA-N, LMFA05000590, NS00059209, 250-926-6 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCC)))))))))))))O |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Fatty acyls |
| Description | Found in traces in apple skin wax |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptacosan-14-ol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C27H56O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XHGCEYVOGZHRLW-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.246 |
| Rotatable Bond Count | 24.0 |
| State | Solid |
| Logd | 4.866 |
| Synonyms | Dimyrstylcarbinol, Heptacosan-14-ol, 14-heptacosanol, heptacosan-14-ol |
| Substituent Name | Long chain fatty alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | Heptacosan-14-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.433 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.433 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 396.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -8.868012800000002 |
| Inchi | InChI=1S/C27H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCC(CCCCCCCCCCCCC)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Eclipta Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all