2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one

C13H24O — CID 59682192

IUPAC2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one
SMILESCC(C)CC1CCCC1C(=O)C(C)C
InChIInChI=1S/C13H24O/c1-9(2)8-11-6-5-7-12(11)13(14)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyMBBDXUJXWLTSIE-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds4

About 2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one

2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one (PubChem CID 59682192) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one
PubChem CID59682192
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one
SMILESCC(C)CC1CCCC1C(=O)C(C)C
InChIInChI=1S/C13H24O/c1-9(2)8-11-6-5-7-12(11)13(14)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyMBBDXUJXWLTSIE-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one
CID 59080135
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
1-(2-aminocycloheptyl)-2-methylpropan-1-one
CID 116595078
2-hydroxy-6-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 174925747
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide
CID 163738986
[2-(2-methylpropyl)cyclopentyl]silane
CID 123668655
5-(2-methylpropyl)azepane-4-carboxylic acid
CID 84669033
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
2-(2-methylpropyl)-1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol
CID 170527501
1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
CID 91067725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one (CID 59682192) is 2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one is CC(C)CC1CCCC1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one?
The InChIKey is MBBDXUJXWLTSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)8-11-6-5-7-12(11)13(14)10(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one?
2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpropyl)cyclopentyl]propan-1-one is sourced from PubChem (CID 59682192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).