Basic information
- Standard SMILES
C=CCC(CO)(CC=C)c1ccc(C(=O)OC)cc1- InChIKey
IMMDYLWUIPBQNE-UHFFFAOYSA-N- Molecular formula
- C16H20O3
- Average molar mass
- 260.33 g/mol
Names & identifiers
- Preferred name
- 4-(1-Allyl-1-hydroxymethyl-but-3-enyl)-benzoic acid methyl ester
- IUPAC
- methyl 4-[4-(hydroxymethyl)hepta-1,6-dien-4-yl]benzoate
Names & synonyms
SCHEMBL2656679IMMDYLWUIPBQNE-UHFFFAOYSA-N4-(1-Allyl-1-hydroxymethyl-but-3-enyl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 67486038
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Related reactions
3 records
Compound notes
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