1,2-Epoxyheptane
PubChem CID: 92215
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,2-Epoxyheptane, 5063-65-0, 2-Pentyloxirane, Pentyloxirane, 1-Heptene oxide, 1,2-Heptylene Oxide, Oxirane, pentyl-, Heptene 1,2-oxide, Heptane, 1,2-epoxy-, Heptylene oxide, Heptane,2-epoxy-, 2-Pentyloxirane #, MFCD00037521, NSC 24250, (+)-1,2-epoxyheptane, SCHEMBL50924, DTXSID30911736, NSC24250, NSC-24250, AKOS009157136, BS-22663, CS-0205209, E0312, T72538, EN300-1852162, InChI=1/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H, 679-936-2 |
|---|---|
| Ghose Rule | False |
| 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 |
| Deep Smiles | CCCCCCCO3 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Epoxides |
| Scaffold Graph Node Level | C1CO1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-pentyloxirane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14O |
| Scaffold Graph Node Bond Level | C1CO1 |
| Inchi Key | NMOFYYYCFRVWBK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | pentyloxirane |
| Esol Class | Very soluble |
| Functional Groups | CC1CO1 |
| Compound Name | 1,2-Epoxyheptane |
| Exact Mass | 114.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 114.19 |
| 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/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3 |
| Smiles | CCCCCC1CO1 |
| 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 Juglans Regia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1477