Basic information
- CAS
720672-29-7- Standard SMILES
CC(C)COC1=CC(CC=CCC2C=C(OCC(C)C)CCC2=O)C(=O)CC1- InChIKey
SFDJJZLRMSVNSF-UHFFFAOYSA-N- Molecular formula
- C24H36O4
- Average molar mass
- 388.5 g/mol
Names & identifiers
- Preferred name
- 4-(2-Methylpropoxy)-2-[4-[3-(2-methylpropoxy)-6-oxocyclohex-2-en-1-yl]but-2-enyl]cyclohex-3-en-1-one
- IUPAC
- 4-(2-methylpropoxy)-2-[4-[3-(2-methylpropoxy)-6-oxocyclohex-2-en-1-yl]but-2-enyl]cyclohex-3-en-1-one
- English name
- 4-isobutoxy-2-[4-(3-isobutoxy-6-oxo-2-cyclohexen-1-yl)-2-butenyl]-3-cyclohexen-1-one
- Molecular formula
- C24H36O4
- Molecular weight
- 388.54
Names & synonyms
4-isobutoxy-2-[4-(3-isobutoxy-6-oxo-2-cyclohexen-1-yl)-2-butenyl]-3-cyclohexen-1-one
Database identifiers
- CAS
720672-29-7
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 571
Physicochemical properties
- Boiling point
- 534.149 · 534.149±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.042 · 1.042±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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