Isopropyl 2,4-dimethyl-2E,4E-heptadienoate
Basic information
- CAS
123245-79-4- Standard SMILES
CC/C=C(C)/C=C(\C)C(=O)OC(C)C- InChIKey
ODGPAJTXQMSFEA-AMMQDNIMSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
Isopropyl 2,4-dimethyl-2E,4E-heptadienoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Isopropyl 2,4-dimethyl-2E,4E-heptadienoate
- IUPAC
- propan-2-yl (2E,4E)-2,4-dimethylhepta-2,4-dienoate
Names & synonyms
Isopropyl 2,4-dimethyl-2E,4E-heptadienoatepropan-2-yl (2E,4E)-2,4-dimethylhepta-2,4-dienoateCHEBI:195909DTXSID501337427LMFA07010664WE(2:0(1Me)/7:2(2E,4E)(2Me,4Me))1-methylethyl (2e,4e)-2,4-dimethyl-2,4-hepta-dienoate1-Methylethyl (2E,4E)-2,4-dimethyl-2,4-heptadienoateWE(2:0(1Me)/7:2(2E,4E)(2Me,4Me)); trun-call 2123245-79-4
Database identifiers
- CAS
123245-79-4- PubChem CID
- 20056444
- DTXSID
DTXSID501337427- ChEBI
CHEBI:195909- Nikkaji
- J646.315K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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