Diisopropoxyborane

C6H14BO2 — CID 22714868

IUPAC—
SMILESCC(C)O[B]OC(C)C
InChIInChI=1S/C6H14BO2/c1-5(2)8-7-9-6(3)4/h5-6H,1-4H3
InChIKeyJWFOBEGWSKKPRL-UHFFFAOYSA-N
MW128.99 g/mol
LogP1.37
Rot. Bonds4

About Diisopropoxyborane

Diisopropoxyborane (PubChem CID 22714868) has the molecular formula C6H14BO2 and a molecular weight of 128.99 g/mol.

Molecular Properties

Compound NameDiisopropoxyborane
PubChem CID22714868
Molecular FormulaC6H14BO2
Molecular Weight128.99 g/mol
Exact Mass129.11
IUPAC Name—
SMILESCC(C)O[B]OC(C)C
InChIInChI=1S/C6H14BO2/c1-5(2)8-7-9-6(3)4/h5-6H,1-4H3
InChIKeyJWFOBEGWSKKPRL-UHFFFAOYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.99
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze Diisopropoxyborane 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 Diisopropoxyborane?
The IUPAC name of Diisopropoxyborane (CID 22714868) is not available.
What is the SMILES notation for Diisopropoxyborane?
The canonical SMILES for Diisopropoxyborane is CC(C)O[B]OC(C)C.
What is the InChIKey of Diisopropoxyborane?
The InChIKey is JWFOBEGWSKKPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BO2/c1-5(2)8-7-9-6(3)4/h5-6H,1-4H3.
What are the key properties of Diisopropoxyborane?
Diisopropoxyborane has a molecular weight of 128.99 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Diisopropoxyborane is sourced from PubChem (CID 22714868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).