2-(3-oxoheptyl)cyclohexan-1-one

C13H22O2 — CID 71341464

IUPAC2-(3-oxoheptyl)cyclohexan-1-one
SMILESCCCCC(=O)CCC1CCCCC1=O
InChIInChI=1S/C13H22O2/c1-2-3-7-12(14)10-9-11-6-4-5-8-13(11)15/h11H,2-10H2,1H3
InChIKeyQPMKYESVLYTDFF-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.29
Rot. Bonds6

About 2-(3-oxoheptyl)cyclohexan-1-one

2-(3-oxoheptyl)cyclohexan-1-one (PubChem CID 71341464) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(3-oxoheptyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3-oxoheptyl)cyclohexan-1-one
PubChem CID71341464
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(3-oxoheptyl)cyclohexan-1-one
SMILESCCCCC(=O)CCC1CCCCC1=O
InChIInChI=1S/C13H22O2/c1-2-3-7-12(14)10-9-11-6-4-5-8-13(11)15/h11H,2-10H2,1H3
InChIKeyQPMKYESVLYTDFF-UHFFFAOYSA-N
XLogP3.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxoheptyl)cyclohexan-1-one
CID 68655143
(2R)-2-pentylcyclohexan-1-one
CID 86310435
2-butylcyclohexan-1-one;ethene
CID 174843360
2-nonylcyclododecan-1-one
CID 14296722
formic acid;2-pentylcyclohexan-1-one
CID 174877274
3-[(1R)-2-oxocyclododecyl]propanoic acid
CID 7018981
carbon monoxide;cobalt;2-hexylcyclohexan-1-one
CID 134877528
3-(2-oxocyclododecyl)propanoyl chloride
CID 54316934
4-(2-oxocyclohexyl)butanoic acid
CID 10559385
2-(3-methylbut-3-enyl)cyclohexan-1-one
CID 11217447
2-butylcyclopentan-1-one;methanamine
CID 174247706
2-decylcyclopentan-1-one
CID 12823821

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxoheptyl)cyclohexan-1-one?
The IUPAC name of 2-(3-oxoheptyl)cyclohexan-1-one (CID 71341464) is 2-(3-oxoheptyl)cyclohexan-1-one.
What is the SMILES notation for 2-(3-oxoheptyl)cyclohexan-1-one?
The canonical SMILES for 2-(3-oxoheptyl)cyclohexan-1-one is CCCCC(=O)CCC1CCCCC1=O.
What is the InChIKey of 2-(3-oxoheptyl)cyclohexan-1-one?
The InChIKey is QPMKYESVLYTDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-7-12(14)10-9-11-6-4-5-8-13(11)15/h11H,2-10H2,1H3.
What are the key properties of 2-(3-oxoheptyl)cyclohexan-1-one?
2-(3-oxoheptyl)cyclohexan-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxoheptyl)cyclohexan-1-one is sourced from PubChem (CID 71341464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).