Completing data — usually done within a minute
Basic information
- CAS
58102-02-6- Standard SMILES
CC1=CCCC(C)(C)C1C=CC(C)C=O- InChIKey
AISADLWIINCFJS-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
- IUPAC
- 2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal
Names & synonyms
3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenalDTXSID70866675EINECS 261-121-4RefChem:93284DTXCID70814939261-121-458102-02-62-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enaltobacco butenalSCHEMBL873935DB-303516
Show more names
NS000130002-methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)-3-butenal
Database identifiers
- CAS
58102-02-6- PubChem CID
- 93952
- DTXSID
DTXSID70866675- EC Number
- 261-121-4
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Related reactions
5 records
Compound notes
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