2,3-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate
Basic information
- CAS
63907-12-0- Standard SMILES
CCCCCCCCC1OC1CCCCCCCC(=O)OCC1(CC)OC1CCC- InChIKey
VVTGLOLVCWBTSW-UHFFFAOYSA-N- Molecular formula
- C26H48O4
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.35526001
Names & identifiers
- Preferred name
- 2,3-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate
- IUPAC
- (2-ethyl-3-propyloxiran-2-yl)methyl 8-(3-octyloxiran-2-yl)octanoate
- English name
- 8-(3-Octyloxirane-2-yl)octanoic acid (2-ethyl-3-propyloxirane-2-yl)methyl ester
- Molecular formula
- C26H48O4
- Molecular weight
- 424.66
Names & synonyms
2,3-Epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate63907-12-01W2C40N125OCTADECANOIC ACID, 9,10-EPOXY-, 2,3-EPOXY-2-ETHYLHEXYL ESTERRefChem:10595048-(3-OCTYLOXIRANE-2-YL)OCTANOIC ACID (2-ETHYL-3-PROPYLOXIRANE-2-YL)METHYL ESTER(2-ethyl-3-propyloxiran-2-yl)methyl 8-(3-octyloxiran-2-yl)octanoateSCHEMBL15573449UNII-1W2C40N125DTXSID009809599,10-Epoxyoctadecanoic acid 3-propyl-2-ethyloxiranylmethyl esterOxiraneoctanoic acid, 3-octyl-, (2-ethyl-3-propyloxiranyl)methyl ester
Show more names
DB-318361Q272529732-OXIRANEOCTANOIC ACID, 3-OCTYL-, (2-ETHYL-3-PROPYL-2-OXIRANYL)METHYL ESTER
Database identifiers
- CAS
63907-12-0- PubChem CID
- 45190
- DTXSID
DTXSID00980959- UNII
- 1W2C40N125
- Nikkaji
- J86.705E
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- FDA UNII
- 1 W2C40N125 · 1W2C40N125
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Compound notes
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