3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

HCID 93952

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

Related reactions

5 records

Compound notes

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