[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane

C14H29BSi — CID 5366556

IUPAC[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane
SMILESC=C(C)/C(=C(\CC)B(CC)CC)[Si](C)(C)C
InChIInChI=1S/C14H29BSi/c1-9-13(15(10-2)11-3)14(12(4)5)16(6,7)8/h4,9-11H2,1-3,5-8H3/b14-13-
InChIKeyQMWDWIHSRCBAJG-YPKPFQOOSA-N
MW236.28 g/mol
LogP5.22
Rot. Bonds6

About [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane

[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane (PubChem CID 5366556) has the molecular formula C14H29BSi and a molecular weight of 236.28 g/mol. Its IUPAC name is [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane
PubChem CID5366556
Molecular FormulaC14H29BSi
Molecular Weight236.28 g/mol
Exact Mass236.21
IUPAC Name[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane
SMILESC=C(C)/C(=C(\CC)B(CC)CC)[Si](C)(C)C
InChIInChI=1S/C14H29BSi/c1-9-13(15(10-2)11-3)14(12(4)5)16(6,7)8/h4,9-11H2,1-3,5-8H3/b14-13-
InChIKeyQMWDWIHSRCBAJG-YPKPFQOOSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.28
LogP ≤ 55.22
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
(e)-5-(Diethylboryl)-2-methyl-4-(trimethylsilyl)-hepta-2,4-diene
CID 14436725
[(2E)-4,5-dimethylhexa-2,4-dienyl]-trimethylsilane
CID 102473316
trimethyl-[(1E,3E)-3-methylhexa-1,3-dienyl]silane
CID 10535131
Trimethyl-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)silane
CID 18347611
[(2E)-2-fluoro-4-methylpenta-2,4-dienyl]-trimethylsilane
CID 173888882
(1-chloro-3,5-dimethyl-2H-borinin-2-yl)-trimethylsilane
CID 12073113
4,5-Diethyl-2,5-dihydro-3-isopropenyl-2,2-dimethyl-1-sodio-1,2,5-azasilaborole
CID 14024396
4-Methyldiethylsilyl-2-methyl-1,3-butadiene
CID 129763094
(e)-Diethylboryl-2-dimethylallylsilyl-pent-2-ene
CID 129828182

Frequently Asked Questions

What is the IUPAC name of [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane?
The IUPAC name of [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane (CID 5366556) is [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane.
What is the SMILES notation for [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane?
The canonical SMILES for [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane is C=C(C)/C(=C(\CC)B(CC)CC)[Si](C)(C)C.
What is the InChIKey of [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane?
The InChIKey is QMWDWIHSRCBAJG-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H29BSi/c1-9-13(15(10-2)11-3)14(12(4)5)16(6,7)8/h4,9-11H2,1-3,5-8H3/b14-13-.
What are the key properties of [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane?
[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane has a molecular weight of 236.28 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-trimethylsilane is sourced from PubChem (CID 5366556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).