1-cycloheptylpentan-1-one

C12H22O — CID 65399298

IUPAC1-cycloheptylpentan-1-one
SMILESCCCCC(=O)C1CCCCCC1
InChIInChI=1S/C12H22O/c1-2-3-10-12(13)11-8-6-4-5-7-9-11/h11H,2-10H2,1H3
InChIKeyFWOHJBINVAIVQU-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.72
Rot. Bonds4

About 1-cycloheptylpentan-1-one

1-cycloheptylpentan-1-one (PubChem CID 65399298) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-cycloheptylpentan-1-one.

Molecular Properties

Compound Name1-cycloheptylpentan-1-one
PubChem CID65399298
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-cycloheptylpentan-1-one
SMILESCCCCC(=O)C1CCCCCC1
InChIInChI=1S/C12H22O/c1-2-3-10-12(13)11-8-6-4-5-7-9-11/h11H,2-10H2,1H3
InChIKeyFWOHJBINVAIVQU-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-methylcyclohexyl)pentan-1-one
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1-cyclooctyl-4-hydroxybutan-1-one
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CID 140659203
CID 140659203
1-(oxan-3-yl)pentan-1-one
CID 65332332
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CID 70972585
ethyl 8-cyclohexyl-8-oxooctanoate
CID 24727431
4-bromo-1-cyclohexylbutan-1-one;ethene
CID 20509826
1-cyclohexylhex-5-yn-1-one
CID 10354296
1-cyclopentyl-5,5-dimethylhexan-1-one
CID 59118963

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylpentan-1-one?
The IUPAC name of 1-cycloheptylpentan-1-one (CID 65399298) is 1-cycloheptylpentan-1-one.
What is the SMILES notation for 1-cycloheptylpentan-1-one?
The canonical SMILES for 1-cycloheptylpentan-1-one is CCCCC(=O)C1CCCCCC1.
What is the InChIKey of 1-cycloheptylpentan-1-one?
The InChIKey is FWOHJBINVAIVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-10-12(13)11-8-6-4-5-7-9-11/h11H,2-10H2,1H3.
What are the key properties of 1-cycloheptylpentan-1-one?
1-cycloheptylpentan-1-one has a molecular weight of 182.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylpentan-1-one is sourced from PubChem (CID 65399298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).