diethyl(propyl)borane

C7H17B — CID 535107

IUPACdiethyl(propyl)borane
SMILESCCCB(CC)CC
InChIInChI=1S/C7H17B/c1-4-7-8(5-2)6-3/h4-7H2,1-3H3
InChIKeyNBQZBJDYCWHZSR-UHFFFAOYSA-N
MW112.02 g/mol
LogP2.93
Rot. Bonds4

About diethyl(propyl)borane

diethyl(propyl)borane (PubChem CID 535107) has the molecular formula C7H17B and a molecular weight of 112.02 g/mol. Its IUPAC name is diethyl(propyl)borane.

Molecular Properties

Compound Namediethyl(propyl)borane
PubChem CID535107
Molecular FormulaC7H17B
Molecular Weight112.02 g/mol
Exact Mass112.14
IUPAC Namediethyl(propyl)borane
SMILESCCCB(CC)CC
InChIInChI=1S/C7H17B/c1-4-7-8(5-2)6-3/h4-7H2,1-3H3
InChIKeyNBQZBJDYCWHZSR-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.02
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze diethyl(propyl)borane with MolForge

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

Launch Full Analysis

Related Compounds

3-diethylboranyl-N-methylpropan-1-amine
CID 86012287
but-3-enyl(diethyl)borane
CID 160653840
methyl(dipropyl)borane
CID 534926
dimethyl(propyl)borane;methane
CID 161304479
[ethyl(propyl)boranyl]formonitrile
CID 145274036
tri(nonyl)borane
CID 12793706
N-[ethyl(propyl)boranyl]sulfanylmethanamine
CID 174041717
methyl-[methyl(propyl)boranyl]phosphane
CID 89355838
2-methylpropylgermane;triethylborane
CID 157255383
copper;propane
CID 159395647
methane;propane
CID 162082112
CID 159053021
CID 159053021

Frequently Asked Questions

What is the IUPAC name of diethyl(propyl)borane?
The IUPAC name of diethyl(propyl)borane (CID 535107) is diethyl(propyl)borane.
What is the SMILES notation for diethyl(propyl)borane?
The canonical SMILES for diethyl(propyl)borane is CCCB(CC)CC.
What is the InChIKey of diethyl(propyl)borane?
The InChIKey is NBQZBJDYCWHZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17B/c1-4-7-8(5-2)6-3/h4-7H2,1-3H3.
What are the key properties of diethyl(propyl)borane?
diethyl(propyl)borane has a molecular weight of 112.02 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(propyl)borane is sourced from PubChem (CID 535107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).