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

C17H35BSi — CID 5366656

IUPAC[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane
SMILESCCB(CC)/C(CC)=C(/C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C17H35BSi/c1-7-16(18(8-2)9-3)17(19(4,5)6)15-13-11-10-12-14-15/h15H,7-14H2,1-6H3/b17-16-
InChIKeyHLPYYYQFMZDYKV-MSUUIHNZSA-N
MW278.36 g/mol
LogP6.22
Rot. Bonds6

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

[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane (PubChem CID 5366656) has the molecular formula C17H35BSi and a molecular weight of 278.36 g/mol. Its IUPAC name is [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane
PubChem CID5366656
Molecular FormulaC17H35BSi
Molecular Weight278.36 g/mol
Exact Mass278.26
IUPAC Name[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane
SMILESCCB(CC)/C(CC)=C(/C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C17H35BSi/c1-7-16(18(8-2)9-3)17(19(4,5)6)15-13-11-10-12-14-15/h15H,7-14H2,1-6H3/b17-16-
InChIKeyHLPYYYQFMZDYKV-MSUUIHNZSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.36
LogP ≤ 56.22
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)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane (CID 5366656) is [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane is CCB(CC)/C(CC)=C(/C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane?
The InChIKey is HLPYYYQFMZDYKV-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H35BSi/c1-7-16(18(8-2)9-3)17(19(4,5)6)15-13-11-10-12-14-15/h15H,7-14H2,1-6H3/b17-16-.
What are the key properties of [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane?
[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane has a molecular weight of 278.36 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-trimethylsilane is sourced from PubChem (CID 5366656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).