2,3-dimethylcyclohex-2-en-1-one

C8H12O — CID 10887898

IUPAC2,3-dimethylcyclohex-2-en-1-one
SMILESCC1=C(C)C(=O)CCC1
InChIInChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h3-5H2,1-2H3
InChIKeyFRJKTQQNQDTORT-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.08
Rot. Bonds

About 2,3-dimethylcyclohex-2-en-1-one

2,3-dimethylcyclohex-2-en-1-one (PubChem CID 10887898) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2,3-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2,3-dimethylcyclohex-2-en-1-one
PubChem CID10887898
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2,3-dimethylcyclohex-2-en-1-one
SMILESCC1=C(C)C(=O)CCC1
InChIInChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h3-5H2,1-2H3
InChIKeyFRJKTQQNQDTORT-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-2-cyclohexen-1-one
CID 14511
Dihydrojasmone
CID 62378
Piperitenone
CID 381152
1-Acetylcyclohexene
CID 13612
1-Cyclohexenylacetone
CID 13031
2-Cyclopenten-1-one, 2,3-dimethyl-
CID 14270
(3E)-4-Methyl-3-decen-5-one
CID 23137209
3-Ethylcyclohex-2-en-1-one
CID 238965
2-Cyclohexen-1-one, 2-pentyl-
CID 12454225
2-Methylnon-2-en-4-one
CID 17942
2-(1-Methylethylidene)cyclohexanone
CID 26252
Ethanone, 1-(2-methyl-1-cyclopenten-1-yl)-
CID 137847

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylcyclohex-2-en-1-one?
The IUPAC name of 2,3-dimethylcyclohex-2-en-1-one (CID 10887898) is 2,3-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 2,3-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 2,3-dimethylcyclohex-2-en-1-one is CC1=C(C)C(=O)CCC1.
What is the InChIKey of 2,3-dimethylcyclohex-2-en-1-one?
The InChIKey is FRJKTQQNQDTORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h3-5H2,1-2H3.
What are the key properties of 2,3-dimethylcyclohex-2-en-1-one?
2,3-dimethylcyclohex-2-en-1-one has a molecular weight of 124.18 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 10887898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).