3,5-dimethylcyclohex-2-en-1-one

C8H12O — CID 14291

IUPAC3,5-dimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C)C1
InChIInChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3
InChIKeyNOQKKFBBAODEHN-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds

About 3,5-dimethylcyclohex-2-en-1-one

3,5-dimethylcyclohex-2-en-1-one (PubChem CID 14291) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3,5-dimethylcyclohex-2-en-1-one
PubChem CID14291
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3,5-dimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C)C1
InChIInChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3
InChIKeyNOQKKFBBAODEHN-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 439570
Levoverbenone
CID 92874
(+-)-Piperitone
CID 6987
Ketoisophorone
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3-Methyl-2-cyclohexen-1-one
CID 14511
Piperitenone
CID 381152
Piperitone, L-
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3,5-dimethylcyclohex-2-en-1-one (CID 14291) is 3,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3,5-dimethylcyclohex-2-en-1-one is CC1=CC(=O)CC(C)C1.
What is the InChIKey of 3,5-dimethylcyclohex-2-en-1-one?
The InChIKey is NOQKKFBBAODEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3.
What are the key properties of 3,5-dimethylcyclohex-2-en-1-one?
3,5-dimethylcyclohex-2-en-1-one has a molecular weight of 124.18 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 14291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).