Basic information
- CAS
71850-78-7- Standard SMILES
CC(C=O)=C(C)CC1=C(C)CCCC1(C)C- InChIKey
CQCCAGSSRPAZNY-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal
- IUPAC
- 2,3-dimethyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal
Names & synonyms
NS000123392,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal
Database identifiers
- CAS
71850-78-7- PubChem CID
- 166191
- DTXSID
DTXSID4072445
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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