3-cyclohexyl-3-methylbutan-2-one

C11H20O — CID 20782049

IUPAC3-cyclohexyl-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)C1CCCCC1
InChIInChI=1S/C11H20O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3
InChIKeyCFEOQIQDDMUBAS-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds2

About 3-cyclohexyl-3-methylbutan-2-one

3-cyclohexyl-3-methylbutan-2-one (PubChem CID 20782049) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-cyclohexyl-3-methylbutan-2-one.

Molecular Properties

Compound Name3-cyclohexyl-3-methylbutan-2-one
PubChem CID20782049
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-cyclohexyl-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)C1CCCCC1
InChIInChI=1S/C11H20O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3
InChIKeyCFEOQIQDDMUBAS-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-2-methylpropanoate
CID 57470554
3-methyl-3-(oxan-4-yl)butan-2-one
CID 58834303
acetic acid;tert-butylcyclohexane
CID 69013500
1,1-dicyclohexyl-1-hydroxypropan-2-one
CID 102386350
(2-cyclohexyl-3-oxobutan-2-yl) acetate
CID 70573535
N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide
CID 58834298
2-cyclooctyl-2-methylpropanedithioic acid
CID 166686037
1-cyclooctylethane-1,1-diol
CID 22410754
2-cyclononadecylpropan-2-ol
CID 126587376
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
2-cyclooctylpropan-2-ol
CID 27966

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-methylbutan-2-one?
The IUPAC name of 3-cyclohexyl-3-methylbutan-2-one (CID 20782049) is 3-cyclohexyl-3-methylbutan-2-one.
What is the SMILES notation for 3-cyclohexyl-3-methylbutan-2-one?
The canonical SMILES for 3-cyclohexyl-3-methylbutan-2-one is CC(=O)C(C)(C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-methylbutan-2-one?
The InChIKey is CFEOQIQDDMUBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3.
What are the key properties of 3-cyclohexyl-3-methylbutan-2-one?
3-cyclohexyl-3-methylbutan-2-one has a molecular weight of 168.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-methylbutan-2-one is sourced from PubChem (CID 20782049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).