(1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane

C17H35BSi — CID 553278

IUPAC(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
InChIKeyHLPYYYQFMZDYKV-UHFFFAOYSA-N
MW278.36 g/mol
LogP6.22
Rot. Bonds6

About (1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane

(1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane (PubChem CID 553278) has the molecular formula C17H35BSi and a molecular weight of 278.36 g/mol. Its IUPAC name is (1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane.

Molecular Properties

Compound Name(1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane
PubChem CID553278
Molecular FormulaC17H35BSi
Molecular Weight278.36 g/mol
Exact Mass278.26
IUPAC Name(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
InChIKeyHLPYYYQFMZDYKV-UHFFFAOYSA-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 (1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane?
The IUPAC name of (1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane (CID 553278) is (1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane.
What is the SMILES notation for (1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane?
The canonical SMILES for (1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane is CCB(CC)C(CC)=C(C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of (1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane?
The InChIKey is HLPYYYQFMZDYKV-UHFFFAOYSA-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.
What are the key properties of (1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane?
(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 (1-cyclohexyl-2-diethylboranylbut-1-enyl)-trimethylsilane is sourced from PubChem (CID 553278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).