Basic information
- Standard SMILES
CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3cc(CC(=O)OC)ccc3OC)c(C)c2)cc1C)CC- InChIKey
QYWWQQAVOMWLRU-UHFFFAOYSA-N- Molecular formula
- C36H46O4
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 542.33960994
Names & identifiers
- Preferred name
- Methyl 2-[3-[4-[3-[4-(3-ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4-methoxyphenyl]acetate
- IUPAC
- methyl 2-[3-[4-[3-[4-(3-ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4-methoxyphenyl]acetate
Names & synonyms
SCHEMBL1525890
Database identifiers
- PubChem CID
- 67065255
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 797
Related reactions
2 records
Compound notes
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