5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one

C14H26O3S — CID 64764789

IUPAC5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one
SMILESCC1CCC(C(C)(C)CCCS(C)(=O)=O)C(=O)C1
InChIInChI=1S/C14H26O3S/c1-11-6-7-12(13(15)10-11)14(2,3)8-5-9-18(4,16)17/h11-12H,5-10H2,1-4H3
InChIKeyZVUCIAOTCJYVSX-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.84
Rot. Bonds5

About 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one

5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one (PubChem CID 64764789) has the molecular formula C14H26O3S and a molecular weight of 274.43 g/mol. Its IUPAC name is 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one
PubChem CID64764789
Molecular FormulaC14H26O3S
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one
SMILESCC1CCC(C(C)(C)CCCS(C)(=O)=O)C(=O)C1
InChIInChI=1S/C14H26O3S/c1-11-6-7-12(13(15)10-11)14(2,3)8-5-9-18(4,16)17/h11-12H,5-10H2,1-4H3
InChIKeyZVUCIAOTCJYVSX-UHFFFAOYSA-N
XLogP2.84
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-(2-methyl-4-propan-2-ylsulfonylbutan-2-yl)cyclohexan-1-one
CID 106732173
5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one
CID 64765166
cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one
CID 11572009
trans-(2S,5R)-2-(2,5-dimethylhex-4-en-2-yl)-5-methylcyclohexan-1-one
CID 11694263
2-(2-chloropropan-2-yl)-5-methylcyclohexan-1-one
CID 15563355
5-methyl-2-(2,4,6-trimethylheptan-2-yl)cyclohexan-1-one
CID 114201371
2-(2-cyclopropylpropan-2-yl)-5-methylcyclohexan-1-one
CID 64765340
(E)-5-methyl-5-(4-methyl-2-oxocyclohexyl)hex-2-enoic acid
CID 14195347
2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
CID 114934401
2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
CID 64764808
2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
CID 64764973
5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one
CID 64764987

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one?
The IUPAC name of 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one (CID 64764789) is 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one is CC1CCC(C(C)(C)CCCS(C)(=O)=O)C(=O)C1.
What is the InChIKey of 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one?
The InChIKey is ZVUCIAOTCJYVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3S/c1-11-6-7-12(13(15)10-11)14(2,3)8-5-9-18(4,16)17/h11-12H,5-10H2,1-4H3.
What are the key properties of 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one?
5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one has a molecular weight of 274.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 64764789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).