diethyl-[(E)-hex-4-en-3-yl]borane

C10H21B — CID 19096480

IUPACdiethyl-[(E)-hex-4-en-3-yl]borane
SMILESC/C=C/C(CC)B(CC)CC
InChIInChI=1S/C10H21B/c1-5-9-10(6-2)11(7-3)8-4/h5,9-10H,6-8H2,1-4H3/b9-5+
InChIKeyQNUWZZHDEUILQT-WEVVVXLNSA-N
MW152.09 g/mol
LogP3.88
Rot. Bonds5

About diethyl-[(E)-hex-4-en-3-yl]borane

diethyl-[(E)-hex-4-en-3-yl]borane (PubChem CID 19096480) has the molecular formula C10H21B and a molecular weight of 152.09 g/mol. Its IUPAC name is diethyl-[(E)-hex-4-en-3-yl]borane.

Molecular Properties

Compound Namediethyl-[(E)-hex-4-en-3-yl]borane
PubChem CID19096480
Molecular FormulaC10H21B
Molecular Weight152.09 g/mol
Exact Mass152.17
IUPAC Namediethyl-[(E)-hex-4-en-3-yl]borane
SMILESC/C=C/C(CC)B(CC)CC
InChIInChI=1S/C10H21B/c1-5-9-10(6-2)11(7-3)8-4/h5,9-10H,6-8H2,1-4H3/b9-5+
InChIKeyQNUWZZHDEUILQT-WEVVVXLNSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-[(E)-hex-4-en-3-yl]borane?
The IUPAC name of diethyl-[(E)-hex-4-en-3-yl]borane (CID 19096480) is diethyl-[(E)-hex-4-en-3-yl]borane.
What is the SMILES notation for diethyl-[(E)-hex-4-en-3-yl]borane?
The canonical SMILES for diethyl-[(E)-hex-4-en-3-yl]borane is C/C=C/C(CC)B(CC)CC.
What is the InChIKey of diethyl-[(E)-hex-4-en-3-yl]borane?
The InChIKey is QNUWZZHDEUILQT-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H21B/c1-5-9-10(6-2)11(7-3)8-4/h5,9-10H,6-8H2,1-4H3/b9-5+.
What are the key properties of diethyl-[(E)-hex-4-en-3-yl]borane?
diethyl-[(E)-hex-4-en-3-yl]borane has a molecular weight of 152.09 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(E)-hex-4-en-3-yl]borane is sourced from PubChem (CID 19096480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).