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Basic information
- Standard SMILES
CCC=CCCOC(=O)C(C(=O)C=CC1=C(C)CCCC1(C)C)C(=O)OCCC=CCC- InChIKey
VZMPVUGKPSXMNO-UHFFFAOYSA-N- Molecular formula
- C27H40O5
- Average molar mass
- 444.6 g/mol
Names & identifiers
- Preferred name
- 2-[3-(2,6,6-Trimethyl-cyclohex-1-enyl)-acryloyl]-malonic acid dihex-3-enyl ester
- IUPAC
- bis(hex-3-enyl) 2-[3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]propanedioate
Names & synonyms
SCHEMBL7700739VZMPVUGKPSXMNO-UHFFFAOYSA-N2-[3-(2,6,6-Trimethyl-cyclohex-1-enyl)-acryloyl]-malonic acid dihex-3-enyl ester
Database identifiers
- PubChem CID
- 70167321
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 720
Related reactions
3 records
Compound notes
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