1-(2,3-dimethylcyclohexylidene)propan-2-one

C11H18O — CID 103970997

IUPAC1-(2,3-dimethylcyclohexylidene)propan-2-one
SMILESCC(=O)C=C1CCCC(C)C1C
InChIInChI=1S/C11H18O/c1-8-5-4-6-11(10(8)3)7-9(2)12/h7-8,10H,4-6H2,1-3H3
InChIKeyDFSXSMUWRVHXMY-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds1

About 1-(2,3-dimethylcyclohexylidene)propan-2-one

1-(2,3-dimethylcyclohexylidene)propan-2-one (PubChem CID 103970997) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexylidene)propan-2-one.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexylidene)propan-2-one
PubChem CID103970997
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-(2,3-dimethylcyclohexylidene)propan-2-one
SMILESCC(=O)C=C1CCCC(C)C1C
InChIInChI=1S/C11H18O/c1-8-5-4-6-11(10(8)3)7-9(2)12/h7-8,10H,4-6H2,1-3H3
InChIKeyDFSXSMUWRVHXMY-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentylidenepropan-2-one
CID 4227745
1-(4-propan-2-ylcyclohexylidene)propan-2-one
CID 103970926
(2E)-2-[(2S)-2-methylcyclohexylidene]acetic acid
CID 12956886
1,2-dimethyl-3-methylidenecyclohexane
CID 54109337
1-cyclooctylidenepropan-2-one
CID 12700422
(3E)-3-(hydroxymethylidene)-2-methylcyclohexane-1-carbaldehyde
CID 58609438
(1Z)-1-[3-(trifluoromethyl)cyclohexylidene]propan-2-one
CID 103970989
trimethylsilyl (2E)-2-(2-methylcyclopentylidene)acetate
CID 10036123
1-(4-tert-butylcyclohexylidene)propan-2-one
CID 12753842
methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate
CID 10899080
1-[4-(trifluoromethyl)cyclohexylidene]propan-2-one
CID 103970892
(1R)-1,2-dimethyl-3-propan-2-ylidenecyclopentane
CID 58465362

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexylidene)propan-2-one?
The IUPAC name of 1-(2,3-dimethylcyclohexylidene)propan-2-one (CID 103970997) is 1-(2,3-dimethylcyclohexylidene)propan-2-one.
What is the SMILES notation for 1-(2,3-dimethylcyclohexylidene)propan-2-one?
The canonical SMILES for 1-(2,3-dimethylcyclohexylidene)propan-2-one is CC(=O)C=C1CCCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexylidene)propan-2-one?
The InChIKey is DFSXSMUWRVHXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-5-4-6-11(10(8)3)7-9(2)12/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-(2,3-dimethylcyclohexylidene)propan-2-one?
1-(2,3-dimethylcyclohexylidene)propan-2-one has a molecular weight of 166.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexylidene)propan-2-one is sourced from PubChem (CID 103970997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).