Basic information
- Standard SMILES
CCCCCCCC(CCC(=O)OCC=C(C)CCC=C(C)C)OC(=O)OCCc1ccccc1- InChIKey
MXQLKIWCJNLACB-UHFFFAOYSA-N- Molecular formula
- C30H46O5
- Average molar mass
- 486.7 g/mol
- Monoisotopic mass
- 486.33452456
Names & identifiers
- Preferred name
- 3,7-Dimethylocta-2,6-dienyl 4-(2-phenylethoxycarbonyloxy)undecanoate
- IUPAC
- 3,7-dimethylocta-2,6-dienyl 4-(2-phenylethoxycarbonyloxy)undecanoate
Names & synonyms
SCHEMBL5187662
Database identifiers
- PubChem CID
- 54096758
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 21
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 627
Related reactions
1 records
Compound notes
Loading…