4-cyclohexylidene-2,2-dimethylcyclobutan-1-one

C12H18O — CID 130026671

IUPAC4-cyclohexylidene-2,2-dimethylcyclobutan-1-one
SMILESCC1(C)CC(=C2CCCCC2)C1=O
InChIInChI=1S/C12H18O/c1-12(2)8-10(11(12)13)9-6-4-3-5-7-9/h3-8H2,1-2H3
InChIKeyMMKWBXHCPKZAQF-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.25
Rot. Bonds

About 4-cyclohexylidene-2,2-dimethylcyclobutan-1-one

4-cyclohexylidene-2,2-dimethylcyclobutan-1-one (PubChem CID 130026671) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 4-cyclohexylidene-2,2-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name4-cyclohexylidene-2,2-dimethylcyclobutan-1-one
PubChem CID130026671
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name4-cyclohexylidene-2,2-dimethylcyclobutan-1-one
SMILESCC1(C)CC(=C2CCCCC2)C1=O
InChIInChI=1S/C12H18O/c1-12(2)8-10(11(12)13)9-6-4-3-5-7-9/h3-8H2,1-2H3
InChIKeyMMKWBXHCPKZAQF-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.25
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

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CID 5377998
2-cyclohexylidene-4,4-dimethyl-3H-pyrrole
CID 101003710
1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone
CID 71330732
3,4,5,6,7,8-hexahydronaphthalene-1,2-dione
CID 22709046
3-hydroxy-3-methylcyclopentadecan-1-one
CID 11311367
5,5-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one
CID 71497678
2,2,5,5-tetramethylcyclohexane-1,4-dione
CID 13390715
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
3,3,8,8,15,15,20,20-octamethyltricyclo[20.2.2.210,13]octacosa-1(25),10,12,22(26),23,27-hexaene-4,5,6,7,16,17,18,19-octone
CID 11490337
6,6-dimethyl-1,2,3,4,5,7,8,9-octahydrobenzo[7]annulene;ethane
CID 142014547
3,3-dimethylcycloheptan-1-one
CID 12702041

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylidene-2,2-dimethylcyclobutan-1-one?
The IUPAC name of 4-cyclohexylidene-2,2-dimethylcyclobutan-1-one (CID 130026671) is 4-cyclohexylidene-2,2-dimethylcyclobutan-1-one.
What is the SMILES notation for 4-cyclohexylidene-2,2-dimethylcyclobutan-1-one?
The canonical SMILES for 4-cyclohexylidene-2,2-dimethylcyclobutan-1-one is CC1(C)CC(=C2CCCCC2)C1=O.
What is the InChIKey of 4-cyclohexylidene-2,2-dimethylcyclobutan-1-one?
The InChIKey is MMKWBXHCPKZAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-12(2)8-10(11(12)13)9-6-4-3-5-7-9/h3-8H2,1-2H3.
What are the key properties of 4-cyclohexylidene-2,2-dimethylcyclobutan-1-one?
4-cyclohexylidene-2,2-dimethylcyclobutan-1-one has a molecular weight of 178.27 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylidene-2,2-dimethylcyclobutan-1-one is sourced from PubChem (CID 130026671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).