butan-2-yl(methyl)borinic acid

C5H13BO — CID 158657908

IUPACbutan-2-yl(methyl)borinic acid
SMILESCCC(C)B(C)O
InChIInChI=1S/C5H13BO/c1-4-5(2)6(3)7/h5,7H,4H2,1-3H3
InChIKeyUJGXTZDMHDAJIV-UHFFFAOYSA-N
MW99.97 g/mol
LogP1.40
Rot. Bonds2

About butan-2-yl(methyl)borinic acid

butan-2-yl(methyl)borinic acid (PubChem CID 158657908) has the molecular formula C5H13BO and a molecular weight of 99.97 g/mol. Its IUPAC name is butan-2-yl(methyl)borinic acid.

Molecular Properties

Compound Namebutan-2-yl(methyl)borinic acid
PubChem CID158657908
Molecular FormulaC5H13BO
Molecular Weight99.97 g/mol
Exact Mass100.11
IUPAC Namebutan-2-yl(methyl)borinic acid
SMILESCCC(C)B(C)O
InChIInChI=1S/C5H13BO/c1-4-5(2)6(3)7/h5,7H,4H2,1-3H3
InChIKeyUJGXTZDMHDAJIV-UHFFFAOYSA-N
XLogP1.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.97
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;di(butan-2-yl)-methylborane;hydride
CID 173450477
[(2S)-butan-2-yl]-dichloroborane
CID 14814926
molecular hydrogen;tri(butan-2-yl)borane
CID 173217286
sodium;hydride;tri(butan-2-yl)borane;hydrate
CID 173077371
di(butan-2-yloxy)borinic acid
CID 23050927
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
hydroxylamine;2-methylbutane
CID 175063986
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
pentakis(butan-2-ol);molybdenum
CID 152613437
tris(butan-2-ol);gallane
CID 175569742

Frequently Asked Questions

What is the IUPAC name of butan-2-yl(methyl)borinic acid?
The IUPAC name of butan-2-yl(methyl)borinic acid (CID 158657908) is butan-2-yl(methyl)borinic acid.
What is the SMILES notation for butan-2-yl(methyl)borinic acid?
The canonical SMILES for butan-2-yl(methyl)borinic acid is CCC(C)B(C)O.
What is the InChIKey of butan-2-yl(methyl)borinic acid?
The InChIKey is UJGXTZDMHDAJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BO/c1-4-5(2)6(3)7/h5,7H,4H2,1-3H3.
What are the key properties of butan-2-yl(methyl)borinic acid?
butan-2-yl(methyl)borinic acid has a molecular weight of 99.97 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(methyl)borinic acid is sourced from PubChem (CID 158657908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).