4-methyl-1-(1-methylcyclopentyl)pentan-1-one

C12H22O — CID 114966745

IUPAC4-methyl-1-(1-methylcyclopentyl)pentan-1-one
SMILESCC(C)CCC(=O)C1(C)CCCC1
InChIInChI=1S/C12H22O/c1-10(2)6-7-11(13)12(3)8-4-5-9-12/h10H,4-9H2,1-3H3
InChIKeyREQQMGOIJQSKHH-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.57
Rot. Bonds4

About 4-methyl-1-(1-methylcyclopentyl)pentan-1-one

4-methyl-1-(1-methylcyclopentyl)pentan-1-one (PubChem CID 114966745) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methyl-1-(1-methylcyclopentyl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(1-methylcyclopentyl)pentan-1-one
PubChem CID114966745
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-methyl-1-(1-methylcyclopentyl)pentan-1-one
SMILESCC(C)CCC(=O)C1(C)CCCC1
InChIInChI=1S/C12H22O/c1-10(2)6-7-11(13)12(3)8-4-5-9-12/h10H,4-9H2,1-3H3
InChIKeyREQQMGOIJQSKHH-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-(2-methyloxan-2-yl)pentan-1-one
CID 80685770
1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one
CID 116567943
1-(1-methoxy-4,4-dimethylcyclohexyl)-4-methylpentan-1-one
CID 116750172
1-(1-methylcyclopentyl)hex-4-yn-1-one
CID 115801490
1-(1-hydroxycyclohexyl)-5-methylhexan-1-one
CID 103449709
2,3,3-trimethyl-2-(4-methylpentanoyl)cyclopentan-1-one
CID 573846
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597
1-(4-methylpentanoylamino)cyclopentane-1-carboxamide
CID 70921490
2-(chloromethoxy)-1-(1-methylcyclohexyl)ethanone
CID 151738393
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684
1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
CID 116600664

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylcyclopentyl)pentan-1-one?
The IUPAC name of 4-methyl-1-(1-methylcyclopentyl)pentan-1-one (CID 114966745) is 4-methyl-1-(1-methylcyclopentyl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(1-methylcyclopentyl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(1-methylcyclopentyl)pentan-1-one is CC(C)CCC(=O)C1(C)CCCC1.
What is the InChIKey of 4-methyl-1-(1-methylcyclopentyl)pentan-1-one?
The InChIKey is REQQMGOIJQSKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)6-7-11(13)12(3)8-4-5-9-12/h10H,4-9H2,1-3H3.
What are the key properties of 4-methyl-1-(1-methylcyclopentyl)pentan-1-one?
4-methyl-1-(1-methylcyclopentyl)pentan-1-one has a molecular weight of 182.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylcyclopentyl)pentan-1-one is sourced from PubChem (CID 114966745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).