4-methyl-1-(1-methylcyclohexyl)pentan-3-one

C13H24O — CID 22217356

IUPAC4-methyl-1-(1-methylcyclohexyl)pentan-3-one
SMILESCC(C)C(=O)CCC1(C)CCCCC1
InChIInChI=1S/C13H24O/c1-11(2)12(14)7-10-13(3)8-5-4-6-9-13/h11H,4-10H2,1-3H3
InChIKeySXIVZSOYGMJGED-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.96
Rot. Bonds4

About 4-methyl-1-(1-methylcyclohexyl)pentan-3-one

4-methyl-1-(1-methylcyclohexyl)pentan-3-one (PubChem CID 22217356) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4-methyl-1-(1-methylcyclohexyl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(1-methylcyclohexyl)pentan-3-one
PubChem CID22217356
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4-methyl-1-(1-methylcyclohexyl)pentan-3-one
SMILESCC(C)C(=O)CCC1(C)CCCCC1
InChIInChI=1S/C13H24O/c1-11(2)12(14)7-10-13(3)8-5-4-6-9-13/h11H,4-10H2,1-3H3
InChIKeySXIVZSOYGMJGED-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

3-(1-methylcyclopentyl)propanoyl iodide
CID 134485203
6-(1-methylcyclohexyl)hexanamide
CID 154219195
3-(1-methylcyclohexyl)-1-phenylpropan-1-one
CID 164668624
1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane
CID 142096766
2-(1-methylcyclohexyl)ethyl acetate
CID 70251628
1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 134371730
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684
1-methyl-1-(3-methylhexyl)cyclohexane
CID 154522496
ethane;N-methyl-N-[2-(1-methylcyclopentyl)ethyl]propan-2-amine
CID 166552547
1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane
CID 91393597
(2R)-2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798136
2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798125

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylcyclohexyl)pentan-3-one?
The IUPAC name of 4-methyl-1-(1-methylcyclohexyl)pentan-3-one (CID 22217356) is 4-methyl-1-(1-methylcyclohexyl)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(1-methylcyclohexyl)pentan-3-one?
The canonical SMILES for 4-methyl-1-(1-methylcyclohexyl)pentan-3-one is CC(C)C(=O)CCC1(C)CCCCC1.
What is the InChIKey of 4-methyl-1-(1-methylcyclohexyl)pentan-3-one?
The InChIKey is SXIVZSOYGMJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-11(2)12(14)7-10-13(3)8-5-4-6-9-13/h11H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1-(1-methylcyclohexyl)pentan-3-one?
4-methyl-1-(1-methylcyclohexyl)pentan-3-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 4-methyl-1-(1-methylcyclohexyl)pentan-3-one is sourced from PubChem (CID 22217356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).