CAS: 31499-72-6
Name: 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
SMILES:
CC1=CCCC(C1CCC(=O)C)(C)CMolecular Processing
Molecular formula
C13H22O
Molecular weight
194.32
Exact mass
194.1671
XLogP
3.74
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
60.18
Supplementary Information
InChIKey: JHJCHCSUEGPIGE-UHFFFAOYSA-N
Synonyme
Dihydro-alpha-ionone4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-oneFEMA No. 3628EINECS 250-657-44-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanoneDihydro-.alpha.-ionone2-BUTANONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-alpha-Dihydroionone.alpha.-7,8-DihydroiononeUNII-20P9Z50AR5.alpha.-Dihydroionone4-(2,2,6-Trimethyl-5-cyclohexen-1-yl)-2-butanone4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)butan-2-oneAI3-3248120P9Z50AR54-(2,6,6-Trimethyl-2-cyclohexen-1-yl-2-butanoneDTXSID408655992',2''-Dihydro-.alpha.-iononeDIHYDRO-.ALPHA.-IONONE [FHFI]RefChem:1337072',2''-Dihydro-alpha-iononeALPHA-7,8-DIHYDROIONONEDTXCID80813993(+-)-DIHYDRO-ALPHA-IONONE(+-)-DIHYDRO-.ALPHA.-IONONEDIHYDRO-ALPHA-IONONE, (+-)-DIHYDRO-.ALPHA.-IONONE, (+-)-4-((1R)-2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-oneJHJCHCSUEGPIGE-UHFFFAOYSA-N
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