dibutyl(ethoxy)borane

C10H23BO — CID 12507439

IUPACdibutyl(ethoxy)borane
SMILESCCCCB(CCCC)OCC
InChIInChI=1S/C10H23BO/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3
InChIKeyJJACBOQEUXMLAN-UHFFFAOYSA-N
MW170.10 g/mol
LogP3.61
Rot. Bonds8

About dibutyl(ethoxy)borane

dibutyl(ethoxy)borane (PubChem CID 12507439) has the molecular formula C10H23BO and a molecular weight of 170.10 g/mol. Its IUPAC name is dibutyl(ethoxy)borane.

Molecular Properties

Compound Namedibutyl(ethoxy)borane
PubChem CID12507439
Molecular FormulaC10H23BO
Molecular Weight170.10 g/mol
Exact Mass170.18
IUPAC Namedibutyl(ethoxy)borane
SMILESCCCCB(CCCC)OCC
InChIInChI=1S/C10H23BO/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3
InChIKeyJJACBOQEUXMLAN-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tributyl borate
CID 12712
Boric acid (H3BO3), tripropyl ester
CID 12711
Bis(propan-2-yl) butylboronate
CID 3775344
Tributyl borate-10B
CID 16212785
Borinic acid, dibutyl-, methyl ester
CID 5326104
Borinic acid, diethyl-, 1-methylethyl ester
CID 5326209
Bis(2,2-dimethylpropyl) ethylboronate
CID 551283
Butyl dibutylborinate
CID 11830386
Dibutyl 1-butaneboronate
CID 12420349
Ethaneboronic acid dibutyl ester
CID 12421680
Butyl diethylborinate
CID 12434719
Boronic acid, (1-methylpropyl)-, bis(1-methylethyl) ester
CID 13183021

Frequently Asked Questions

What is the IUPAC name of dibutyl(ethoxy)borane?
The IUPAC name of dibutyl(ethoxy)borane (CID 12507439) is dibutyl(ethoxy)borane.
What is the SMILES notation for dibutyl(ethoxy)borane?
The canonical SMILES for dibutyl(ethoxy)borane is CCCCB(CCCC)OCC.
What is the InChIKey of dibutyl(ethoxy)borane?
The InChIKey is JJACBOQEUXMLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BO/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3.
What are the key properties of dibutyl(ethoxy)borane?
dibutyl(ethoxy)borane has a molecular weight of 170.10 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(ethoxy)borane is sourced from PubChem (CID 12507439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).