[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane

C16H33BSi — CID 134979229

IUPAC[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane
SMILESCCB(CC)/C(CC)=C(/C=C(C)C)[Si](C)(C)CC
InChIInChI=1S/C16H33BSi/c1-9-15(17(10-2)11-3)16(13-14(5)6)18(7,8)12-4/h13H,9-12H2,1-8H3/b16-15-
InChIKeyPVBFSXISVBCROS-NXVVXOECSA-N
MW264.34 g/mol
LogP6.00
Rot. Bonds7

About [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane

[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane (PubChem CID 134979229) has the molecular formula C16H33BSi and a molecular weight of 264.34 g/mol. Its IUPAC name is [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane.

Molecular Properties

Compound Name[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane
PubChem CID134979229
Molecular FormulaC16H33BSi
Molecular Weight264.34 g/mol
Exact Mass264.24
IUPAC Name[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane
SMILESCCB(CC)/C(CC)=C(/C=C(C)C)[Si](C)(C)CC
InChIInChI=1S/C16H33BSi/c1-9-15(17(10-2)11-3)16(13-14(5)6)18(7,8)12-4/h13H,9-12H2,1-8H3/b16-15-
InChIKeyPVBFSXISVBCROS-NXVVXOECSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.34
LogP ≤ 56.00
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 [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane?
The IUPAC name of [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane (CID 134979229) is [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane.
What is the SMILES notation for [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane?
The canonical SMILES for [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane is CCB(CC)/C(CC)=C(/C=C(C)C)[Si](C)(C)CC.
What is the InChIKey of [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane?
The InChIKey is PVBFSXISVBCROS-NXVVXOECSA-N. The full InChI is InChI=1S/C16H33BSi/c1-9-15(17(10-2)11-3)16(13-14(5)6)18(7,8)12-4/h13H,9-12H2,1-8H3/b16-15-.
What are the key properties of [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane?
[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane has a molecular weight of 264.34 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane is sourced from PubChem (CID 134979229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).