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

C15H31BSi — CID 14436725

IUPAC[(4E)-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-PFONDFGASA-N
MW250.31 g/mol
LogP5.61
Rot. Bonds6

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

[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane (PubChem CID 14436725) has the molecular formula C15H31BSi and a molecular weight of 250.31 g/mol. Its IUPAC name is [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane
PubChem CID14436725
Molecular FormulaC15H31BSi
Molecular Weight250.31 g/mol
Exact Mass250.23
IUPAC Name[(4E)-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-PFONDFGASA-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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Related Compounds

Silane, trimethyl[1-(1-methylethenyl)-1-butenyl]-, (E)-
CID 5366644
[(2Z)-3-fluoro-2,4-dimethylpenta-2,4-dienyl]-trimethylsilane
CID 101784157
1-Oxa-2-sila-5-boracyclopent-3-ene, 4,5-diethyl-2,2-dimethyl-3-(1-methylethenyl)-
CID 586398
1,3-Hexadiene, 4-diethylboryl-3-trimethylsilyl-
CID 5366556
[(2E)-4,5-dimethylhexa-2,4-dienyl]-trimethylsilane
CID 102473316
trimethyl-[(1E,3E)-3-methylhexa-1,3-dienyl]silane
CID 10535131
Trimethyl(5-methylcyclohexa-1,5-dien-1-yl)silane
CID 13271347
Trimethyl-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)silane
CID 18347611
Dimethylbis(methylcyclopentadienyl)silan
CID 21997380
[(3Z)-4-fluoro-5-methylidenehepta-3,6-dien-3-yl]-trimethylsilane
CID 173888582
[(2E)-2-fluoro-4-methylpenta-2,4-dienyl]-trimethylsilane
CID 173888882
[(3Z,5Z)-6-fluoro-5-methylocta-1,3,5-trien-2-yl]-trimethylsilane
CID 174029667

Frequently Asked Questions

What is the IUPAC name of [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane?
The IUPAC name of [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane (CID 14436725) is [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane.
What is the SMILES notation for [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane?
The canonical SMILES for [(4E)-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 [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane?
The InChIKey is DXLRNPOARCASPO-PFONDFGASA-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 [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane?
[(4E)-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 [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-trimethylsilane is sourced from PubChem (CID 14436725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).