2-Methyltriacontane
PubChem CID: 73796
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| Compound Synonyms | 2-Methyltriacontane, Isohentriacontane, 1560-72-1, Triacontane, 2-methyl-, Triacotane, 2-methyl-, KXJ9XHT2AS, 90386-48-4, UNII-KXJ9XHT2AS, 2-methyl-triacotane, Triacontane, 2-methyl, DTXSID4075087, XXXQDPROWGQIIR-UHFFFAOYSA-N, LMFA11000353, Q27282486 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyltriacontane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 16.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C31H64 |
| Inchi Key | XXXQDPROWGQIIR-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 27.0 |
| Synonyms | 2-methyl triacontane |
| Esol Class | Insoluble |
| Compound Name | 2-Methyltriacontane |
| Exact Mass | 436.501 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.501 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 436.8 |
| 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 |
| Inchi | InChI=1S/C31H64/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(2)3/h31H,4-30H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C |
| 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 Pyrus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1553637