Heptatriacontane
PubChem CID: 23598
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| Compound Synonyms | Heptatriacontane, N-HEPTATRIACONTANE, 7194-84-5, 3HHO62R7RM, EINECS 230-559-8, UNII-3HHO62R7RM, DTXSID0064591, Heptatriacontane, >=95.0%, DTXCID5047166, Heptatriacontane, n-Heptatriacontane, Heptatriacontane, analytical standard, MFCD00042945, N-C-37, LS-15400, H0920, NS00044301, T72874, Q151192, 230-559-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 37.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptatriacontane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 19.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C37H76 |
| Inchi Key | PXEZIKSRSYGOED-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 34.0 |
| Synonyms | heptatriacontane |
| Esol Class | Insoluble |
| Compound Name | Heptatriacontane |
| Exact Mass | 520.595 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 520.595 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 521.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C37H76/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| 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 Hibiscus Cannabinus (Plant) Rel Props:Reference:ISBN:9788185042084 - 2. Outgoing r'ship
FOUND_INto/from Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698715