Methyl 7-ethyl-9-(3-ethyl-3-methyloxiran-2-yl)-3-methylnona-2,6-dienoate
Basic information
- CAS
23314-84-3- Standard SMILES
CCC(=CCCC(C)=CC(=O)OC)CCC1OC1(C)CC- InChIKey
RQIDGZHMTWSMMC-UHFFFAOYSA-N- Molecular formula
- C18H30O3
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.21949481
Names & identifiers
- Preferred name
- Methyl 7-ethyl-9-(3-ethyl-3-methyloxiran-2-yl)-3-methylnona-2,6-dienoate
- IUPAC
- methyl 7-ethyl-9-(3-ethyl-3-methyloxiran-2-yl)-3-methylnona-2,6-dienoate
Names & synonyms
SCHEMBL7709823DTXSID30945990methyl 7-ethyl-9-(3-ethyl-3-methyloxiran-2-yl)-3-methylnona-2,6-dienoatemethyl 10,11-epoxy-7-ethyl-3,11-dimethyltrideca-2,6-dienoate
Database identifiers
- CAS
23314-84-3- PubChem CID
- 26280
- DTXSID
DTXSID30945990
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
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Compound notes
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