4-(3,5-dimethylcyclohexyl)pentan-2-one

C13H24O — CID 64729153

IUPAC4-(3,5-dimethylcyclohexyl)pentan-2-one
SMILESCC(=O)CC(C)C1CC(C)CC(C)C1
InChIInChI=1S/C13H24O/c1-9-5-10(2)7-13(6-9)11(3)8-12(4)14/h9-11,13H,5-8H2,1-4H3
InChIKeyQLMDCBULMGSDSL-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds3

About 4-(3,5-dimethylcyclohexyl)pentan-2-one

4-(3,5-dimethylcyclohexyl)pentan-2-one (PubChem CID 64729153) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)pentan-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)pentan-2-one
PubChem CID64729153
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4-(3,5-dimethylcyclohexyl)pentan-2-one
SMILESCC(=O)CC(C)C1CC(C)CC(C)C1
InChIInChI=1S/C13H24O/c1-9-5-10(2)7-13(6-9)11(3)8-12(4)14/h9-11,13H,5-8H2,1-4H3
InChIKeyQLMDCBULMGSDSL-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,5-dimethylcyclohexyl)pentan-2-ol
CID 64730562
1-(3,5-dimethylcyclohexyl)propane-1,2-diol
CID 103452734
3-(3,5-dimethylcyclohexyl)butan-2-ol
CID 79423302
3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one
CID 116606386
1-(4-chlorobutan-2-yl)-3-methylcyclobutane
CID 123326544
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
ethane;methyl-[3-[(1S,3R)-3-methylcyclopentyl]butanoyl]azanide;yttrium
CID 160820743
4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64729558
3-(3,5-dimethylcyclohexyl)-N-ethylbutan-1-amine
CID 81018914
bis(1-hydroxypropan-2-one);4-methylpentan-2-one
CID 88828646
actinium;4-oxopentan-2-ylazanide
CID 20760022
(4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one
CID 11095930

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)pentan-2-one?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)pentan-2-one (CID 64729153) is 4-(3,5-dimethylcyclohexyl)pentan-2-one.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)pentan-2-one?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)pentan-2-one is CC(=O)CC(C)C1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)pentan-2-one?
The InChIKey is QLMDCBULMGSDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9-5-10(2)7-13(6-9)11(3)8-12(4)14/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 4-(3,5-dimethylcyclohexyl)pentan-2-one?
4-(3,5-dimethylcyclohexyl)pentan-2-one has a molecular weight of 196.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)pentan-2-one is sourced from PubChem (CID 64729153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).