Ethyl 3,7,11-trimethyldodeca-2,4-dienoate
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Basic information
- CAS
36557-30-9- Standard SMILES
CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C- InChIKey
FYQGBXGJFWXIPP-UHFFFAOYSA-N- Molecular formula
- C17H30O2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.2245802
Names & identifiers
- Preferred name
- Ethyl 3,7,11-trimethyldodeca-2,4-dienoate
- IUPAC
- ethyl 3,7,11-trimethyldodeca-2,4-dienoate
- English name
- 2,4-Dodecadienoic acid, 3,7,11-trimethyl-, ethyl ester
- Molecular formula
- C17H30O2
- Molecular weight
- 266.42
Names & synonyms
Ethyl 3,7,11-trimethyldodeca-2,4-dienoateEthyl 3,7,11-trimethyl-2,4-dodecadienoateSCHEMBL2231130CHEMBL3561413DTXSID90860579FYQGBXGJFWXIPP-UHFFFAOYSA-NAKOS030240664PD013635Hydroprene (mixture of E and Z isomers)2,4-Dodecadienoic acid, 3,7,11-trimethyl-, ethyl ester
Database identifiers
- CAS
36557-30-9- PubChem CID
- 38759
- DTXSID
DTXSID90860579- ChEMBL
CHEMBL3561413
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 339.2 · 339.2±11.0 °C(Predicted)
- Density
- 0.886 · 0.886±0.06 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Hydroprene is the ethyl ester of (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoic acid It has a role as a juvenile hormone mimic. It is a farnesane sesquiterpenoid and an ethyl ester.
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Related reactions
4 records
Compound notes
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