bis(2-methylpropoxy)-(2-methylpropyl)borane

C12H27BO2 — CID 11241344

IUPACbis(2-methylpropoxy)-(2-methylpropyl)borane
SMILESCC(C)COB(CC(C)C)OCC(C)C
InChIInChI=1S/C12H27BO2/c1-10(2)7-13(14-8-11(3)4)15-9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyBOFHHPQLKJMCFE-UHFFFAOYSA-N
MW214.16 g/mol
LogP3.48
Rot. Bonds8

About bis(2-methylpropoxy)-(2-methylpropyl)borane

bis(2-methylpropoxy)-(2-methylpropyl)borane (PubChem CID 11241344) has the molecular formula C12H27BO2 and a molecular weight of 214.16 g/mol. Its IUPAC name is bis(2-methylpropoxy)-(2-methylpropyl)borane.

Molecular Properties

Compound Namebis(2-methylpropoxy)-(2-methylpropyl)borane
PubChem CID11241344
Molecular FormulaC12H27BO2
Molecular Weight214.16 g/mol
Exact Mass214.21
IUPAC Namebis(2-methylpropoxy)-(2-methylpropyl)borane
SMILESCC(C)COB(CC(C)C)OCC(C)C
InChIInChI=1S/C12H27BO2/c1-10(2)7-13(14-8-11(3)4)15-9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyBOFHHPQLKJMCFE-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-methylpropoxy)-(2-methylpropyl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropoxy)-(2-methylpropyl)borane?
The IUPAC name of bis(2-methylpropoxy)-(2-methylpropyl)borane (CID 11241344) is bis(2-methylpropoxy)-(2-methylpropyl)borane.
What is the SMILES notation for bis(2-methylpropoxy)-(2-methylpropyl)borane?
The canonical SMILES for bis(2-methylpropoxy)-(2-methylpropyl)borane is CC(C)COB(CC(C)C)OCC(C)C.
What is the InChIKey of bis(2-methylpropoxy)-(2-methylpropyl)borane?
The InChIKey is BOFHHPQLKJMCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BO2/c1-10(2)7-13(14-8-11(3)4)15-9-12(5)6/h10-12H,7-9H2,1-6H3.
What are the key properties of bis(2-methylpropoxy)-(2-methylpropyl)borane?
bis(2-methylpropoxy)-(2-methylpropyl)borane has a molecular weight of 214.16 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropoxy)-(2-methylpropyl)borane is sourced from PubChem (CID 11241344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).