[3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid

C11H21BO3 — CID 140651310

IUPAC[3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid
SMILESCC(C)C(=O)CC1CCCC(B(O)O)C1
InChIInChI=1S/C11H21BO3/c1-8(2)11(13)7-9-4-3-5-10(6-9)12(14)15/h8-10,14-15H,3-7H2,1-2H3
InChIKeyBZANBRCZIUSHDL-UHFFFAOYSA-N
MW212.10 g/mol
LogP1.63
Rot. Bonds4

About [3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid

[3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid (PubChem CID 140651310) has the molecular formula C11H21BO3 and a molecular weight of 212.10 g/mol. Its IUPAC name is [3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid.

Molecular Properties

Compound Name[3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid
PubChem CID140651310
Molecular FormulaC11H21BO3
Molecular Weight212.10 g/mol
Exact Mass212.16
IUPAC Name[3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid
SMILESCC(C)C(=O)CC1CCCC(B(O)O)C1
InChIInChI=1S/C11H21BO3/c1-8(2)11(13)7-9-4-3-5-10(6-9)12(14)15/h8-10,14-15H,3-7H2,1-2H3
InChIKeyBZANBRCZIUSHDL-UHFFFAOYSA-N
XLogP1.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(3-methylcyclohexyl)butan-2-one;propane
CID 170590259
3-methyl-1-(3-methylcyclopentyl)butan-2-one
CID 167693796
3-methyl-1-(3-methylcyclobutyl)butan-2-one
CID 157464694
[3-[(E)-4-methyl-3-oxopent-1-enyl]cyclohexyl]boronic acid
CID 140651193
1-(3-fluorocyclobutyl)-3-methylbutan-2-one
CID 158355329
1-cyclopentyl-3-methylbutan-2-one;thiophene
CID 174398739
1-(3-methoxycyclobutyl)-3-methylbutan-2-one
CID 159895021
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
1-cyclohexyl-3-methylbutan-2-one;thiophene
CID 174439786
[3-[2-[[(1S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylcyclohexyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]boronic acid
CID 140646813
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-methylbutan-2-one
CID 155710662
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317

Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid?
The IUPAC name of [3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid (CID 140651310) is [3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid.
What is the SMILES notation for [3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid?
The canonical SMILES for [3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid is CC(C)C(=O)CC1CCCC(B(O)O)C1.
What is the InChIKey of [3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid?
The InChIKey is BZANBRCZIUSHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO3/c1-8(2)11(13)7-9-4-3-5-10(6-9)12(14)15/h8-10,14-15H,3-7H2,1-2H3.
What are the key properties of [3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid?
[3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid has a molecular weight of 212.10 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid is sourced from PubChem (CID 140651310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).