1,2-Epoxypentadecane
PubChem CID: 86768
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| Compound Synonyms | 2-Tridecyloxirane, Tridecyloxirane, 18633-25-5, Oxirane, 2-tridecyl-, 1,2-epoxypentadecane, Oxirane, tridecyl-, 1-pentadecene oxide, 1,2-Pentadecane oxide, V2LL9HNF94, EINECS 242-460-7, TRIDECYL EPOXYETHANE, DTXSID80885059, PENTADECANE, 1,2-EPOXY-, 2-Tridecyloxirane #, UNII-V2LL9HNF94, SCHEMBL284297, DTXCID301003248, TAA63325, MFCD23715565, NS00052676, EN300-269950, F87811, A1-20502, Z1495386305, 242-460-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC1 |
| Np Classifier Class | Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCO3 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Epoxides |
| Scaffold Graph Node Level | C1CO1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-tridecyloxirane |
| Veber Rule | False |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 6.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H30O |
| Scaffold Graph Node Bond Level | C1CO1 |
| Inchi Key | QMIBIXKZPBEGTE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | tridecyloxirane |
| Esol Class | Moderately soluble |
| Functional Groups | CC1CO1 |
| Compound Name | 1,2-Epoxypentadecane |
| Exact Mass | 226.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 226.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16-15/h15H,2-14H2,1H3 |
| Smiles | CCCCCCCCCCCCCC1CO1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965