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

C19H28O — CID 64765166

IUPAC5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one
SMILESCC1CCC(C(C)(C)CCCc2ccccc2)C(=O)C1
InChIInChI=1S/C19H28O/c1-15-11-12-17(18(20)14-15)19(2,3)13-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17H,7,10-14H2,1-3H3
InChIKeyVKQABPWXMXFWSF-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.04
Rot. Bonds5

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

5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one (PubChem CID 64765166) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one
PubChem CID64765166
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one
SMILESCC1CCC(C(C)(C)CCCc2ccccc2)C(=O)C1
InChIInChI=1S/C19H28O/c1-15-11-12-17(18(20)14-15)19(2,3)13-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17H,7,10-14H2,1-3H3
InChIKeyVKQABPWXMXFWSF-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-(2-methyl-5-methylsulfonylpentan-2-yl)cyclohexan-1-one
CID 64764789
cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one
CID 10537454
2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
CID 114934401
cis-(2R,5R)-2-(2,4-dimethylpent-4-en-2-yl)-5-methylcyclohexan-1-one
CID 11572009
2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
CID 64764973
2-[1-(2-amino-4-pyridinyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-one
CID 64764808
trans-(2S,5R)-2-(2,5-dimethylhex-4-en-2-yl)-5-methylcyclohexan-1-one
CID 11694263
(E)-5-methyl-5-(4-methyl-2-oxocyclohexyl)hex-2-enoic acid
CID 14195347
2-(2-chloropropan-2-yl)-5-methylcyclohexan-1-one
CID 15563355
5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one
CID 82870642
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one?
The IUPAC name of 5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one (CID 64765166) is 5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one is CC1CCC(C(C)(C)CCCc2ccccc2)C(=O)C1.
What is the InChIKey of 5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one?
The InChIKey is VKQABPWXMXFWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-15-11-12-17(18(20)14-15)19(2,3)13-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17H,7,10-14H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one?
5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one has a molecular weight of 272.43 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methyl-5-phenylpentan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 64765166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).