butan-2-yl(diethoxy)borane

C8H19BO2 — CID 13278257

IUPACbutan-2-yl(diethoxy)borane
SMILESCCOB(OCC)C(C)CC
InChIInChI=1S/C8H19BO2/c1-5-8(4)9(10-6-2)11-7-3/h8H,5-7H2,1-4H3
InChIKeyHJSIRUAIAZSZIY-UHFFFAOYSA-N
MW158.05 g/mol
LogP2.35
Rot. Bonds6

About butan-2-yl(diethoxy)borane

butan-2-yl(diethoxy)borane (PubChem CID 13278257) has the molecular formula C8H19BO2 and a molecular weight of 158.05 g/mol. Its IUPAC name is butan-2-yl(diethoxy)borane.

Molecular Properties

Compound Namebutan-2-yl(diethoxy)borane
PubChem CID13278257
Molecular FormulaC8H19BO2
Molecular Weight158.05 g/mol
Exact Mass158.15
IUPAC Namebutan-2-yl(diethoxy)borane
SMILESCCOB(OCC)C(C)CC
InChIInChI=1S/C8H19BO2/c1-5-8(4)9(10-6-2)11-7-3/h8H,5-7H2,1-4H3
InChIKeyHJSIRUAIAZSZIY-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl(diethoxy)borane?
The IUPAC name of butan-2-yl(diethoxy)borane (CID 13278257) is butan-2-yl(diethoxy)borane.
What is the SMILES notation for butan-2-yl(diethoxy)borane?
The canonical SMILES for butan-2-yl(diethoxy)borane is CCOB(OCC)C(C)CC.
What is the InChIKey of butan-2-yl(diethoxy)borane?
The InChIKey is HJSIRUAIAZSZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BO2/c1-5-8(4)9(10-6-2)11-7-3/h8H,5-7H2,1-4H3.
What are the key properties of butan-2-yl(diethoxy)borane?
butan-2-yl(diethoxy)borane has a molecular weight of 158.05 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(diethoxy)borane is sourced from PubChem (CID 13278257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).