ethoxy(dipropyl)borane

C8H19BO — CID 12507438

IUPACethoxy(dipropyl)borane
SMILESCCCB(CCC)OCC
InChIInChI=1S/C8H19BO/c1-4-7-9(8-5-2)10-6-3/h4-8H2,1-3H3
InChIKeyQWSFPDWZCWBPRI-UHFFFAOYSA-N
MW142.05 g/mol
LogP2.83
Rot. Bonds6

About ethoxy(dipropyl)borane

ethoxy(dipropyl)borane (PubChem CID 12507438) has the molecular formula C8H19BO and a molecular weight of 142.05 g/mol. Its IUPAC name is ethoxy(dipropyl)borane.

Molecular Properties

Compound Nameethoxy(dipropyl)borane
PubChem CID12507438
Molecular FormulaC8H19BO
Molecular Weight142.05 g/mol
Exact Mass142.15
IUPAC Nameethoxy(dipropyl)borane
SMILESCCCB(CCC)OCC
InChIInChI=1S/C8H19BO/c1-4-7-9(8-5-2)10-6-3/h4-8H2,1-3H3
InChIKeyQWSFPDWZCWBPRI-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.05
LogP ≤ 52.83
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 ethoxy(dipropyl)borane?
The IUPAC name of ethoxy(dipropyl)borane (CID 12507438) is ethoxy(dipropyl)borane.
What is the SMILES notation for ethoxy(dipropyl)borane?
The canonical SMILES for ethoxy(dipropyl)borane is CCCB(CCC)OCC.
What is the InChIKey of ethoxy(dipropyl)borane?
The InChIKey is QWSFPDWZCWBPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BO/c1-4-7-9(8-5-2)10-6-3/h4-8H2,1-3H3.
What are the key properties of ethoxy(dipropyl)borane?
ethoxy(dipropyl)borane has a molecular weight of 142.05 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(dipropyl)borane is sourced from PubChem (CID 12507438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).