triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane

C29H32Si — CID 101115085

IUPACtriphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane
SMILESC/C=C(/C=C/C=C\CCCC)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32Si/c1-3-5-6-7-8-12-19-26(4-2)30(27-20-13-9-14-21-27,28-22-15-10-16-23-28)29-24-17-11-18-25-29/h4,7-25H,3,5-6H2,1-2H3/b8-7-,19-12+,26-4-
InChIKeyLQQXMXKSXSJLAA-WHEYJLSDSA-N
MW408.66 g/mol
LogP5.94
Rot. Bonds9

About triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane

triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane (PubChem CID 101115085) has the molecular formula C29H32Si and a molecular weight of 408.66 g/mol. Its IUPAC name is triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane.

Molecular Properties

Compound Nametriphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane
PubChem CID101115085
Molecular FormulaC29H32Si
Molecular Weight408.66 g/mol
Exact Mass408.23
IUPAC Nametriphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane
SMILESC/C=C(/C=C/C=C\CCCC)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32Si/c1-3-5-6-7-8-12-19-26(4-2)30(27-20-13-9-14-21-27,28-22-15-10-16-23-28)29-24-17-11-18-25-29/h4,7-25H,3,5-6H2,1-2H3/b8-7-,19-12+,26-4-
InChIKeyLQQXMXKSXSJLAA-WHEYJLSDSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane?
The IUPAC name of triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane (CID 101115085) is triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane.
What is the SMILES notation for triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane?
The canonical SMILES for triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane is C/C=C(/C=C/C=C\CCCC)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane?
The InChIKey is LQQXMXKSXSJLAA-WHEYJLSDSA-N. The full InChI is InChI=1S/C29H32Si/c1-3-5-6-7-8-12-19-26(4-2)30(27-20-13-9-14-21-27,28-22-15-10-16-23-28)29-24-17-11-18-25-29/h4,7-25H,3,5-6H2,1-2H3/b8-7-,19-12+,26-4-.
What are the key properties of triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane?
triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane has a molecular weight of 408.66 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(2Z,4E,6Z)-undeca-2,4,6-trien-3-yl]silane is sourced from PubChem (CID 101115085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).