1-cyclopentyl-5,5-dimethylhexan-1-one

C13H24O — CID 59118963

IUPAC1-cyclopentyl-5,5-dimethylhexan-1-one
SMILESCC(C)(C)CCCC(=O)C1CCCC1
InChIInChI=1S/C13H24O/c1-13(2,3)10-6-9-12(14)11-7-4-5-8-11/h11H,4-10H2,1-3H3
InChIKeySQIAYSRIYIZUPJ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.96
Rot. Bonds4

About 1-cyclopentyl-5,5-dimethylhexan-1-one

1-cyclopentyl-5,5-dimethylhexan-1-one (PubChem CID 59118963) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-cyclopentyl-5,5-dimethylhexan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-5,5-dimethylhexan-1-one
PubChem CID59118963
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-cyclopentyl-5,5-dimethylhexan-1-one
SMILESCC(C)(C)CCCC(=O)C1CCCC1
InChIInChI=1S/C13H24O/c1-13(2,3)10-6-9-12(14)11-7-4-5-8-11/h11H,4-10H2,1-3H3
InChIKeySQIAYSRIYIZUPJ-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 65399769
1,8-di(cyclobutyl)octane-1,8-dione
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1-cycloheptylpentan-1-one
CID 65399298
1-cyclohexyldecan-1-one
CID 63409715
1-cyclooctyl-4-hydroxybutan-1-one
CID 134987719
CID 140659203
CID 140659203
1-cyclobutylheptane-1,6-dione
CID 59531069
1-cyclobutylnonane-1,8-dione
CID 70928486
7-amino-1-cyclopentylheptan-1-one
CID 116551360
1-cyclobutyldodecan-1-one
CID 115811550
1-cyclopentyl-7-methyloctan-1-one
CID 155793674
1-cycloheptylbutan-1-one
CID 54353743

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5,5-dimethylhexan-1-one?
The IUPAC name of 1-cyclopentyl-5,5-dimethylhexan-1-one (CID 59118963) is 1-cyclopentyl-5,5-dimethylhexan-1-one.
What is the SMILES notation for 1-cyclopentyl-5,5-dimethylhexan-1-one?
The canonical SMILES for 1-cyclopentyl-5,5-dimethylhexan-1-one is CC(C)(C)CCCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5,5-dimethylhexan-1-one?
The InChIKey is SQIAYSRIYIZUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-13(2,3)10-6-9-12(14)11-7-4-5-8-11/h11H,4-10H2,1-3H3.
What are the key properties of 1-cyclopentyl-5,5-dimethylhexan-1-one?
1-cyclopentyl-5,5-dimethylhexan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5,5-dimethylhexan-1-one is sourced from PubChem (CID 59118963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).