[(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane

C19H29Si+ — CID 146163039

IUPAC[(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane
SMILESC=C(/C(C)=C/C/C=C1/C=CC=C[CH+]1)[Si](CC)(CC)CC
InChIInChI=1S/C19H29Si/c1-6-20(7-2,8-3)18(5)17(4)13-12-16-19-14-10-9-11-15-19/h9-11,13-16H,5-8,12H2,1-4H3/q+1/b17-13+
InChIKeyKHNUAJYXYQYEFQ-GHRIWEEISA-N
MW285.53 g/mol
LogP6.18
Rot. Bonds7

About [(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane

[(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane (PubChem CID 146163039) has the molecular formula C19H29Si+ and a molecular weight of 285.53 g/mol. Its IUPAC name is [(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane.

Molecular Properties

Compound Name[(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane
PubChem CID146163039
Molecular FormulaC19H29Si+
Molecular Weight285.53 g/mol
Exact Mass285.20
IUPAC Name[(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane
SMILESC=C(/C(C)=C/C/C=C1/C=CC=C[CH+]1)[Si](CC)(CC)CC
InChIInChI=1S/C19H29Si/c1-6-20(7-2,8-3)18(5)17(4)13-12-16-19-14-10-9-11-15-19/h9-11,13-16H,5-8,12H2,1-4H3/q+1/b17-13+
InChIKeyKHNUAJYXYQYEFQ-GHRIWEEISA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.53
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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
[(E)-3-cyclohexylideneprop-1-enyl]-trimethylsilane
CID 10081354
[(E)-2-(cyclohexen-1-yl)ethenyl]-trimethylsilane
CID 14175461
[(E)-2-(cyclopenten-1-yl)ethenyl]-trimethylsilane
CID 14175462
[(2E)-5,6-dimethylhepta-2,5-dienyl]-trimethylsilane
CID 101546838
[(2E)-4,5-dimethylhexa-2,4-dienyl]-trimethylsilane
CID 102473316
(2,4-Dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
CID 134857856
trimethyl-[(1E,3E)-3-methylhexa-1,3-dienyl]silane
CID 10535131
[(1E,3E)-hepta-1,3-dienyl]-trimethylsilane
CID 12494006
(2-Methylcyclohexa-2,5-diene-1,4-diyl)bis(trimethylsilane)
CID 12596435
Cyclohexa-1,5-dien-1-yl(trimethyl)silane
CID 12934073
Trimethyl(5-methylcyclohexa-1,5-dien-1-yl)silane
CID 13271347

Frequently Asked Questions

What is the IUPAC name of [(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane?
The IUPAC name of [(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane (CID 146163039) is [(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane.
What is the SMILES notation for [(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane?
The canonical SMILES for [(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane is C=C(/C(C)=C/C/C=C1/C=CC=C[CH+]1)[Si](CC)(CC)CC.
What is the InChIKey of [(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane?
The InChIKey is KHNUAJYXYQYEFQ-GHRIWEEISA-N. The full InChI is InChI=1S/C19H29Si/c1-6-20(7-2,8-3)18(5)17(4)13-12-16-19-14-10-9-11-15-19/h9-11,13-16H,5-8,12H2,1-4H3/q+1/b17-13+.
What are the key properties of [(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane?
[(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane has a molecular weight of 285.53 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane is sourced from PubChem (CID 146163039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).