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Basic information
- Standard SMILES
COC(=O)C=C(C)C=CCC(C)CCCC(C)C- InChIKey
UWUCKVMJFRMXLT-UHFFFAOYSA-N- Molecular formula
- C16H28O2
- Average molar mass
- 252.39 g/mol
- Monoisotopic mass
- 252.20893013
Names & identifiers
- Preferred name
- Methyl 3,7,11-trimethyldodeca-2,4-dienoate
- IUPAC
- methyl 3,7,11-trimethyldodeca-2,4-dienoate
Names & synonyms
SCHEMBL11763425UWUCKVMJFRMXLT-UHFFFAOYSA-NMETHYL 3,7,11-TRIMETHYLDODECA-2,4-DIENOATE
Database identifiers
- PubChem CID
- 54376380
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
2 records
Compound notes
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