5,9-Dimethyl-deca-2,4,8-trienoic acid ethyl ester
Basic information
- CAS
30932-95-7- Standard SMILES
CCOC(=O)/C=C/C=C(/C)CCC=C(C)C- InChIKey
OUMILASNGJWLED-JSJZFMHOSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- 5,9-Dimethyl-deca-2,4,8-trienoic acid ethyl ester
- IUPAC
- ethyl (2E,4Z)-5,9-dimethyldeca-2,4,8-trienoate
Names & synonyms
CHEMBL45918430932-95-7NSC1078765,9-Dimethyl-deca-2,4,8-trienoic acid ethyl esterBDBM50275171NSC202765NSC-107876NSC-202765
Database identifiers
- CAS
30932-95-7- PubChem CID
- 5380951
- ChEMBL
CHEMBL459184- Nikkaji
- J2.268.567H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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