Bis(3-methylbutan-2-yl)boron

C10H22B — CID 6337887

IUPAC—
SMILESCC(C)C(C)[B]C(C)C(C)C
InChIInChI=1S/C10H22B/c1-7(2)9(5)11-10(6)8(3)4/h7-10H,1-6H3
InChIKeyVHAXQSFPTJUMLT-UHFFFAOYSA-N
MW153.10 g/mol
LogP3.62
Rot. Bonds4

About Bis(3-methylbutan-2-yl)boron

Bis(3-methylbutan-2-yl)boron (PubChem CID 6337887) has the molecular formula C10H22B and a molecular weight of 153.10 g/mol.

Molecular Properties

Compound NameBis(3-methylbutan-2-yl)boron
PubChem CID6337887
Molecular FormulaC10H22B
Molecular Weight153.10 g/mol
Exact Mass153.18
IUPAC Name—
SMILESCC(C)C(C)[B]C(C)C(C)C
InChIInChI=1S/C10H22B/c1-7(2)9(5)11-10(6)8(3)4/h7-10H,1-6H3
InChIKeyVHAXQSFPTJUMLT-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Bis(3-methylbutan-2-yl)boron?
The IUPAC name of Bis(3-methylbutan-2-yl)boron (CID 6337887) is not available.
What is the SMILES notation for Bis(3-methylbutan-2-yl)boron?
The canonical SMILES for Bis(3-methylbutan-2-yl)boron is CC(C)C(C)[B]C(C)C(C)C.
What is the InChIKey of Bis(3-methylbutan-2-yl)boron?
The InChIKey is VHAXQSFPTJUMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22B/c1-7(2)9(5)11-10(6)8(3)4/h7-10H,1-6H3.
What are the key properties of Bis(3-methylbutan-2-yl)boron?
Bis(3-methylbutan-2-yl)boron has a molecular weight of 153.10 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(3-methylbutan-2-yl)boron is sourced from PubChem (CID 6337887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).