Basic information
- Standard SMILES
CC(C)=CCCC(C)CCOC(=O)C(C(=O)C=CC1=C(C)CCCC1(C)C)C(=O)OCCC(C)CCC=C(C)C- InChIKey
KVZZNHGFUHNANT-UHFFFAOYSA-N- Molecular formula
- C35H56O5
- Average molar mass
- 556.8 g/mol
- Monoisotopic mass
- 556.41277488
Names & identifiers
- Preferred name
- 2-[3-(2,6,6-Trimethyl-cyclohex-1-enyl)-acryloyl]-malonic acid bis-(3,7-dimethyl-oct6-enyl) ester
- IUPAC
- bis(3,7-dimethyloct-6-enyl) 2-[3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]propanedioate
Names & synonyms
SCHEMBL7700235KVZZNHGFUHNANT-UHFFFAOYSA-N2-[3-(2,6,6-Trimethyl-cyclohex-1-enyl)-acryloyl]-malonic acid bis-(3,7-dimethyl-oct6-enyl) ester
Database identifiers
- PubChem CID
- 70167152
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 908
Related reactions
2 records
Compound notes
Loading…