[(E)-2-diethylboranylbut-1-enyl]-trimethylsilane

C11H25BSi — CID 5366483

IUPAC[(E)-2-diethylboranylbut-1-enyl]-trimethylsilane
SMILESCCB(CC)/C(=C\[Si](C)(C)C)CC
InChIInChI=1S/C11H25BSi/c1-7-11(10-13(4,5)6)12(8-2)9-3/h10H,7-9H2,1-6H3/b11-10-
InChIKeyDATGNCAIZLZPCT-KHPPLWFESA-N
MW196.22 g/mol
LogP4.27
Rot. Bonds5

About [(E)-2-diethylboranylbut-1-enyl]-trimethylsilane

[(E)-2-diethylboranylbut-1-enyl]-trimethylsilane (PubChem CID 5366483) has the molecular formula C11H25BSi and a molecular weight of 196.22 g/mol. Its IUPAC name is [(E)-2-diethylboranylbut-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2-diethylboranylbut-1-enyl]-trimethylsilane
PubChem CID5366483
Molecular FormulaC11H25BSi
Molecular Weight196.22 g/mol
Exact Mass196.18
IUPAC Name[(E)-2-diethylboranylbut-1-enyl]-trimethylsilane
SMILESCCB(CC)/C(=C\[Si](C)(C)C)CC
InChIInChI=1S/C11H25BSi/c1-7-11(10-13(4,5)6)12(8-2)9-3/h10H,7-9H2,1-6H3/b11-10-
InChIKeyDATGNCAIZLZPCT-KHPPLWFESA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(E)-2-diethylboranylbut-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-2-diethylboranylbut-1-enyl]-trimethylsilane (CID 5366483) is [(E)-2-diethylboranylbut-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-2-diethylboranylbut-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-2-diethylboranylbut-1-enyl]-trimethylsilane is CCB(CC)/C(=C\[Si](C)(C)C)CC.
What is the InChIKey of [(E)-2-diethylboranylbut-1-enyl]-trimethylsilane?
The InChIKey is DATGNCAIZLZPCT-KHPPLWFESA-N. The full InChI is InChI=1S/C11H25BSi/c1-7-11(10-13(4,5)6)12(8-2)9-3/h10H,7-9H2,1-6H3/b11-10-.
What are the key properties of [(E)-2-diethylboranylbut-1-enyl]-trimethylsilane?
[(E)-2-diethylboranylbut-1-enyl]-trimethylsilane has a molecular weight of 196.22 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-diethylboranylbut-1-enyl]-trimethylsilane is sourced from PubChem (CID 5366483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).