chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane

C14H30BClSi — CID 102209688

IUPACchloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane
SMILESCCCC/C(=C(\CC)B(CC)CC)[Si](C)(C)Cl
InChIInChI=1S/C14H30BClSi/c1-7-11-12-14(17(5,6)16)13(8-2)15(9-3)10-4/h7-12H2,1-6H3/b14-13-
InChIKeyWCEDDFGJEOFOCM-YPKPFQOOSA-N
MW272.74 g/mol
LogP5.94
Rot. Bonds8

About chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane

chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane (PubChem CID 102209688) has the molecular formula C14H30BClSi and a molecular weight of 272.74 g/mol. Its IUPAC name is chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane.

Molecular Properties

Compound Namechloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane
PubChem CID102209688
Molecular FormulaC14H30BClSi
Molecular Weight272.74 g/mol
Exact Mass272.19
IUPAC Namechloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane
SMILESCCCC/C(=C(\CC)B(CC)CC)[Si](C)(C)Cl
InChIInChI=1S/C14H30BClSi/c1-7-11-12-14(17(5,6)16)13(8-2)15(9-3)10-4/h7-12H2,1-6H3/b14-13-
InChIKeyWCEDDFGJEOFOCM-YPKPFQOOSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.74
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane?
The IUPAC name of chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane (CID 102209688) is chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane.
What is the SMILES notation for chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane?
The canonical SMILES for chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane is CCCC/C(=C(\CC)B(CC)CC)[Si](C)(C)Cl.
What is the InChIKey of chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane?
The InChIKey is WCEDDFGJEOFOCM-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H30BClSi/c1-7-11-12-14(17(5,6)16)13(8-2)15(9-3)10-4/h7-12H2,1-6H3/b14-13-.
What are the key properties of chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane?
chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane has a molecular weight of 272.74 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylsilane is sourced from PubChem (CID 102209688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).