diethyl(propan-2-yloxy)borane

C7H17BO — CID 5326209

IUPACdiethyl(propan-2-yloxy)borane
SMILESCCB(CC)OC(C)C
InChIInChI=1S/C7H17BO/c1-5-8(6-2)9-7(3)4/h7H,5-6H2,1-4H3
InChIKeyKINHWSVLCIEQTO-UHFFFAOYSA-N
MW128.02 g/mol
LogP2.44
Rot. Bonds4

About diethyl(propan-2-yloxy)borane

diethyl(propan-2-yloxy)borane (PubChem CID 5326209) has the molecular formula C7H17BO and a molecular weight of 128.02 g/mol. Its IUPAC name is diethyl(propan-2-yloxy)borane.

Molecular Properties

Compound Namediethyl(propan-2-yloxy)borane
PubChem CID5326209
Molecular FormulaC7H17BO
Molecular Weight128.02 g/mol
Exact Mass128.14
IUPAC Namediethyl(propan-2-yloxy)borane
SMILESCCB(CC)OC(C)C
InChIInChI=1S/C7H17BO/c1-5-8(6-2)9-7(3)4/h7H,5-6H2,1-4H3
InChIKeyKINHWSVLCIEQTO-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.02
LogP ≤ 52.44
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 diethyl(propan-2-yloxy)borane?
The IUPAC name of diethyl(propan-2-yloxy)borane (CID 5326209) is diethyl(propan-2-yloxy)borane.
What is the SMILES notation for diethyl(propan-2-yloxy)borane?
The canonical SMILES for diethyl(propan-2-yloxy)borane is CCB(CC)OC(C)C.
What is the InChIKey of diethyl(propan-2-yloxy)borane?
The InChIKey is KINHWSVLCIEQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17BO/c1-5-8(6-2)9-7(3)4/h7H,5-6H2,1-4H3.
What are the key properties of diethyl(propan-2-yloxy)borane?
diethyl(propan-2-yloxy)borane has a molecular weight of 128.02 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(propan-2-yloxy)borane is sourced from PubChem (CID 5326209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).