[(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane

C15H31BSi — CID 5366339

IUPAC[(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane
SMILESCCB(CC)/C(CC)=C(\C=C(C)C)[Si](C)(C)C
InChIInChI=1S/C15H31BSi/c1-9-14(16(10-2)11-3)15(12-13(4)5)17(6,7)8/h12H,9-11H2,1-8H3/b15-14+
InChIKeyDXLRNPOARCASPO-CCEZHUSRSA-N
MW250.31 g/mol
LogP5.61
Rot. Bonds6

About [(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane

[(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane (PubChem CID 5366339) has the molecular formula C15H31BSi and a molecular weight of 250.31 g/mol. Its IUPAC name is [(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane
PubChem CID5366339
Molecular FormulaC15H31BSi
Molecular Weight250.31 g/mol
Exact Mass250.23
IUPAC Name[(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane
SMILESCCB(CC)/C(CC)=C(\C=C(C)C)[Si](C)(C)C
InChIInChI=1S/C15H31BSi/c1-9-14(16(10-2)11-3)15(12-13(4)5)17(6,7)8/h12H,9-11H2,1-8H3/b15-14+
InChIKeyDXLRNPOARCASPO-CCEZHUSRSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.31
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane?
The IUPAC name of [(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane (CID 5366339) is [(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane.
What is the SMILES notation for [(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane?
The canonical SMILES for [(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane is CCB(CC)/C(CC)=C(\C=C(C)C)[Si](C)(C)C.
What is the InChIKey of [(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane?
The InChIKey is DXLRNPOARCASPO-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H31BSi/c1-9-14(16(10-2)11-3)15(12-13(4)5)17(6,7)8/h12H,9-11H2,1-8H3/b15-14+.
What are the key properties of [(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane?
[(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane has a molecular weight of 250.31 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane is sourced from PubChem (CID 5366339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).