diethyl(4-methoxybutyl)borane

C9H20BO+ — CID 21364867

IUPACdiethyl(4-methoxybutyl)borane
SMILES[CH2+]OCCCCB(CC)CC
InChIInChI=1S/C9H20BO/c1-4-10(5-2)8-6-7-9-11-3/h3-9H2,1-2H3/q+1
InChIKeyZXPOORTYIWICEW-UHFFFAOYSA-N
MW155.07 g/mol
LogP3.11
Rot. Bonds7

About diethyl(4-methoxybutyl)borane

diethyl(4-methoxybutyl)borane (PubChem CID 21364867) has the molecular formula C9H20BO+ and a molecular weight of 155.07 g/mol. Its IUPAC name is diethyl(4-methoxybutyl)borane.

Molecular Properties

Compound Namediethyl(4-methoxybutyl)borane
PubChem CID21364867
Molecular FormulaC9H20BO+
Molecular Weight155.07 g/mol
Exact Mass155.16
IUPAC Namediethyl(4-methoxybutyl)borane
SMILES[CH2+]OCCCCB(CC)CC
InChIInChI=1S/C9H20BO/c1-4-10(5-2)8-6-7-9-11-3/h3-9H2,1-2H3/q+1
InChIKeyZXPOORTYIWICEW-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl(4-methoxybutyl)borane?
The IUPAC name of diethyl(4-methoxybutyl)borane (CID 21364867) is diethyl(4-methoxybutyl)borane.
What is the SMILES notation for diethyl(4-methoxybutyl)borane?
The canonical SMILES for diethyl(4-methoxybutyl)borane is [CH2+]OCCCCB(CC)CC.
What is the InChIKey of diethyl(4-methoxybutyl)borane?
The InChIKey is ZXPOORTYIWICEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BO/c1-4-10(5-2)8-6-7-9-11-3/h3-9H2,1-2H3/q+1.
What are the key properties of diethyl(4-methoxybutyl)borane?
diethyl(4-methoxybutyl)borane has a molecular weight of 155.07 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(4-methoxybutyl)borane is sourced from PubChem (CID 21364867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).