Hexatriacontane
PubChem CID: 12412
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| Compound Synonyms | HEXATRIACONTANE, 630-06-8, n-Hexatriacontane, CH3-[CH2]34-CH3, EINECS 211-127-8, NSC 407536, NSC-407536, AI3-52389, DTXSID7060885, CHEBI:72688, HSDB 8364, ZX65M35102, n-Hexatriacontane 100 microg/mL in Hexane, CH3-(CH2)34-CH3, Hexatriacontane, analytical standard, Hexatriacontane, NSC 407536, n-Hexatriacontane, HEXATRIACONTANE, 98%, nHexatriacontane, UNII-ZX65M35102, Hexatriacontane, n-, MFCD00009413, DTXCID3043605, N-C-36, NSC407536, AKOS015902574, HY-W131353, FH176068, LS-15387, DB-054369, CS-0197343, H0120, NS00004070, T72741, Q151185, 2994BC5D-52BE-44F8-9824-0253A3BD2243, 2040-92-8, 211-127-8 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 36.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexatriacontane |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 19.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C36H74 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YDLYQMBWCWFRAI-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 33.0 |
| Synonyms | hexatriacontane, n-hexatriacontane |
| Esol Class | Insoluble |
| Compound Name | Hexatriacontane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 506.579 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.579 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 507.0 |
| 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 |
| Esol | -12.850925600000004 |
| Inchi | InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
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