4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one

C24H40O2 — CID 139753131

IUPAC4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one
SMILESCC(C)(C1CCC(=O)CC1)C1CCCC(C(C)(C)C2CCC(=O)CC2)C1
InChIInChI=1S/C24H40O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h17-20H,5-16H2,1-4H3
InChIKeyAXOSQWRLQCCYGC-UHFFFAOYSA-N
MW360.58 g/mol
LogP6.36
Rot. Bonds4

About 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one

4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one (PubChem CID 139753131) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one
PubChem CID139753131
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one
SMILESCC(C)(C1CCC(=O)CC1)C1CCCC(C(C)(C)C2CCC(=O)CC2)C1
InChIInChI=1S/C24H40O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h17-20H,5-16H2,1-4H3
InChIKeyAXOSQWRLQCCYGC-UHFFFAOYSA-N
XLogP6.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one with MolForge

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Related Compounds

4-tert-butylcyclohexan-1-one
CID 7392
4-(2-fluoropropan-2-yl)cycloheptan-1-one
CID 123284587
1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane
CID 20647647
1-(2-cyclopentylpropan-2-yl)-3-methylcyclopentane
CID 163483519
5-(2,4,4-trimethylpentan-2-yl)cyclooctan-1-one
CID 143292518
1,3-ditert-butylcyclohexane;sulfane
CID 159387743
cyclopentanone;2,2-dimethylpropane
CID 157268404
2-(2-cyclohexylpropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 15920186
2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol
CID 144841343
4,6-dimethylcyclooctan-1-one
CID 130038288
4-[di(cyclooctyl)amino]cyclohexan-1-one
CID 138676674
5-(2-cyclobutylpropan-2-yl)-1,3-oxazolidin-2-one
CID 57185315

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one?
The IUPAC name of 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one (CID 139753131) is 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one?
The canonical SMILES for 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one is CC(C)(C1CCC(=O)CC1)C1CCCC(C(C)(C)C2CCC(=O)CC2)C1.
What is the InChIKey of 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one?
The InChIKey is AXOSQWRLQCCYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h17-20H,5-16H2,1-4H3.
What are the key properties of 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one?
4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one has a molecular weight of 360.58 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 139753131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).