butyl(diethoxy)borane

C8H19BO2 — CID 529038

IUPACbutyl(diethoxy)borane
SMILESCCCCB(OCC)OCC
InChIInChI=1S/C8H19BO2/c1-4-7-8-9(10-5-2)11-6-3/h4-8H2,1-3H3
InChIKeyCWECLYHTGAVVBM-UHFFFAOYSA-N
MW158.05 g/mol
LogP2.35
Rot. Bonds7

About butyl(diethoxy)borane

butyl(diethoxy)borane (PubChem CID 529038) has the molecular formula C8H19BO2 and a molecular weight of 158.05 g/mol. Its IUPAC name is butyl(diethoxy)borane.

Molecular Properties

Compound Namebutyl(diethoxy)borane
PubChem CID529038
Molecular FormulaC8H19BO2
Molecular Weight158.05 g/mol
Exact Mass158.15
IUPAC Namebutyl(diethoxy)borane
SMILESCCCCB(OCC)OCC
InChIInChI=1S/C8H19BO2/c1-4-7-8-9(10-5-2)11-6-3/h4-8H2,1-3H3
InChIKeyCWECLYHTGAVVBM-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.05
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butyl(diethoxy)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

butyl-ethoxy-propan-2-yloxyborane
CID 20654637
butyl-di(propan-2-yloxy)borane
CID 3775344
ethane;1-ethoxybutane
CID 143206406
pentane;stannane
CID 173279416
ethane;1-ethoxybutane;molecular hydrogen
CID 143792167
trihexyl borate
CID 21423
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
pentoxyphosphanium
CID 151109139
1-decoxydocosane
CID 87077677
aluminum;1-butoxybutane;hydride
CID 174684135
butane;ethoxyethane;methane;pentane
CID 158883576

Frequently Asked Questions

What is the IUPAC name of butyl(diethoxy)borane?
The IUPAC name of butyl(diethoxy)borane (CID 529038) is butyl(diethoxy)borane.
What is the SMILES notation for butyl(diethoxy)borane?
The canonical SMILES for butyl(diethoxy)borane is CCCCB(OCC)OCC.
What is the InChIKey of butyl(diethoxy)borane?
The InChIKey is CWECLYHTGAVVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BO2/c1-4-7-8-9(10-5-2)11-6-3/h4-8H2,1-3H3.
What are the key properties of butyl(diethoxy)borane?
butyl(diethoxy)borane has a molecular weight of 158.05 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(diethoxy)borane is sourced from PubChem (CID 529038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).