[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane

C19H41BOSi2 — CID 5372907

IUPAC[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane
SMILESCCB(CC)/C(CC)=C(/C1CCCCC1)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C19H41BOSi2/c1-9-18(20(10-2)11-3)19(17-15-13-12-14-16-17)23(7,8)21-22(4,5)6/h17H,9-16H2,1-8H3/b19-18-
InChIKeyAMJPKRZPMPDLFB-HNENSFHCSA-N
MW352.52 g/mol
LogP6.94
Rot. Bonds8

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

[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane (PubChem CID 5372907) has the molecular formula C19H41BOSi2 and a molecular weight of 352.52 g/mol. Its IUPAC name is [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane.

Molecular Properties

Compound Name[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane
PubChem CID5372907
Molecular FormulaC19H41BOSi2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane
SMILESCCB(CC)/C(CC)=C(/C1CCCCC1)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C19H41BOSi2/c1-9-18(20(10-2)11-3)19(17-15-13-12-14-16-17)23(7,8)21-22(4,5)6/h17H,9-16H2,1-8H3/b19-18-
InChIKeyAMJPKRZPMPDLFB-HNENSFHCSA-N
XLogP6.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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]-dimethyl-trimethylsilyloxysilane?
The IUPAC name of [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane (CID 5372907) is [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane.
What is the SMILES notation for [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane?
The canonical SMILES for [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane is CCB(CC)/C(CC)=C(/C1CCCCC1)[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane?
The InChIKey is AMJPKRZPMPDLFB-HNENSFHCSA-N. The full InChI is InChI=1S/C19H41BOSi2/c1-9-18(20(10-2)11-3)19(17-15-13-12-14-16-17)23(7,8)21-22(4,5)6/h17H,9-16H2,1-8H3/b19-18-.
What are the key properties of [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane?
[(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane has a molecular weight of 352.52 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-cyclohexyl-2-diethylboranylbut-1-enyl]-dimethyl-trimethylsilyloxysilane is sourced from PubChem (CID 5372907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).