11-Decyldocosane
PubChem CID: 41440
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| Compound Synonyms | 11-DECYLDOCOSANE, Docosane, 11-decyl-, 11-n-Decyldocosane, 55401-55-3, 11-decyl-docosane, NSC156331, 11-Decyldocosane #, DTXSID40203957, ZTLKOYAJKRWSKL-UHFFFAOYSA-N, NSC 156331, NSC-156331 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCC))))))))))CCCCCCCCCC |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 287.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-decyldocosane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 17.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H66 |
| Inchi Key | ZTLKOYAJKRWSKL-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 28.0 |
| Synonyms | docosane 11-decyl |
| Esol Class | Insoluble |
| Compound Name | 11-Decyldocosane |
| Exact Mass | 450.516 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 450.516 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 450.9 |
| 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/C32H66/c1-4-7-10-13-16-19-22-25-28-31-32(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h32H,4-31H2,1-3H3 |
| Smiles | CCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC |
| 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 Brassica Napus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662616