1,2-Epoxydecane
PubChem CID: 16993
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| Compound Synonyms | 1,2-EPOXYDECANE, 2404-44-6, 2-Octyloxirane, Oxirane, octyl-, 1,2-Decylene Oxide, Octyloxirane, 1-Decene oxide, Oxirane, 2-octyl-, Q312EN88HU, DTXSID4025242, NSC-16197, CCRIS 2615, EINECS 219-295-4, NSC 16197, UNII-Q312EN88HU, decene oxide, epoxy decane, AI3-14198, MFCD00221495, Oxirane,octyl-, 2-Octyloxirane #, 1,2-epoxy decane, 1,2-epoxy-decane, EINECS 270-215-4, MFCD00005158, OCTYLEPOXYETHANE, Decane, 1,2-epoxy, 1-DECENE EPOXIDE, 1,2-DECENE OXIDE, EC 219-295-4, 1,2-DECENE EPOXIDE, SCHEMBL52034, DECANE, 1,2-EPOXY-, DTXCID905242, QSPL 142, CHEMBL1422466, NSC16197, (+/-)-1,2-EPOXYDECANE, Tox21_200306, MFCD27929184, AKOS015855777, 1,2-EPOXYDECANE, (+/-)-, NCGC00091077-01, NCGC00091077-02, NCGC00257860-01, LS-13885, SY325300, SY325301, CAS-2404-44-6, CS-0204736, E0315, NS00003272, D90479, Q27286940 |
|---|---|
| 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 | CCCCCCCCCCO3 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Epoxides |
| Scaffold Graph Node Level | C1CO1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.9 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-octyloxirane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O |
| Scaffold Graph Node Bond Level | C1CO1 |
| Inchi Key | AAMHBRRZYSORSH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | octyloxirane |
| Esol Class | Soluble |
| Functional Groups | CC1CO1 |
| Compound Name | 1,2-Epoxydecane |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| 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/C10H20O/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3 |
| Smiles | CCCCCCCCC1CO1 |
| 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 Cordia Sebestena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884758