dibutyl(methoxy)borane

C9H21BO — CID 5326104

IUPACdibutyl(methoxy)borane
SMILESCCCCB(CCCC)OC
InChIInChI=1S/C9H21BO/c1-4-6-8-10(11-3)9-7-5-2/h4-9H2,1-3H3
InChIKeyTXPZMODHLBBIJK-UHFFFAOYSA-N
MW156.08 g/mol
LogP3.22
Rot. Bonds7

About dibutyl(methoxy)borane

dibutyl(methoxy)borane (PubChem CID 5326104) has the molecular formula C9H21BO and a molecular weight of 156.08 g/mol. Its IUPAC name is dibutyl(methoxy)borane.

Molecular Properties

Compound Namedibutyl(methoxy)borane
PubChem CID5326104
Molecular FormulaC9H21BO
Molecular Weight156.08 g/mol
Exact Mass156.17
IUPAC Namedibutyl(methoxy)borane
SMILESCCCCB(CCCC)OC
InChIInChI=1S/C9H21BO/c1-4-6-8-10(11-3)9-7-5-2/h4-9H2,1-3H3
InChIKeyTXPZMODHLBBIJK-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.08
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 dibutyl(methoxy)borane?
The IUPAC name of dibutyl(methoxy)borane (CID 5326104) is dibutyl(methoxy)borane.
What is the SMILES notation for dibutyl(methoxy)borane?
The canonical SMILES for dibutyl(methoxy)borane is CCCCB(CCCC)OC.
What is the InChIKey of dibutyl(methoxy)borane?
The InChIKey is TXPZMODHLBBIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BO/c1-4-6-8-10(11-3)9-7-5-2/h4-9H2,1-3H3.
What are the key properties of dibutyl(methoxy)borane?
dibutyl(methoxy)borane has a molecular weight of 156.08 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(methoxy)borane is sourced from PubChem (CID 5326104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).