[(1E)-dodeca-1,11-dienyl]-triphenylsilane

C30H36Si — CID 135057523

IUPAC[(1E)-dodeca-1,11-dienyl]-triphenylsilane
SMILESC=CCCCCCCCC/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36Si/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30/h2,11-27H,1,3-10H2/b27-20+
InChIKeyMLLDOJSFKNIEIC-NHFJDJAPSA-N
MW424.70 g/mol
LogP6.56
Rot. Bonds13

About [(1E)-dodeca-1,11-dienyl]-triphenylsilane

[(1E)-dodeca-1,11-dienyl]-triphenylsilane (PubChem CID 135057523) has the molecular formula C30H36Si and a molecular weight of 424.70 g/mol. Its IUPAC name is [(1E)-dodeca-1,11-dienyl]-triphenylsilane.

Molecular Properties

Compound Name[(1E)-dodeca-1,11-dienyl]-triphenylsilane
PubChem CID135057523
Molecular FormulaC30H36Si
Molecular Weight424.70 g/mol
Exact Mass424.26
IUPAC Name[(1E)-dodeca-1,11-dienyl]-triphenylsilane
SMILESC=CCCCCCCCC/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36Si/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30/h2,11-27H,1,3-10H2/b27-20+
InChIKeyMLLDOJSFKNIEIC-NHFJDJAPSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 56.56
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
chloro-methyl-oct-7-enyl-phenylsilane
CID 54527858
triphenyl(undec-10-enyl)phosphanium
CID 3716115
hept-6-enylbenzene
CID 15608161
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
chloro-hex-5-enyl-methyl-phenylsilane
CID 54080342
heptahexaconta-1,23,66-triene
CID 57275880
icosa-1,9,19-triene
CID 57001912
[(1E,4Z)-hexa-1,4-dienyl]-triphenylsilane
CID 10903938
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
[(E)-3-methoxyprop-1-enyl]-triphenylsilane
CID 102399031
(E)-6-[dimethyl(phenyl)silyl]hex-5-en-1-ol
CID 102509286

Frequently Asked Questions

What is the IUPAC name of [(1E)-dodeca-1,11-dienyl]-triphenylsilane?
The IUPAC name of [(1E)-dodeca-1,11-dienyl]-triphenylsilane (CID 135057523) is [(1E)-dodeca-1,11-dienyl]-triphenylsilane.
What is the SMILES notation for [(1E)-dodeca-1,11-dienyl]-triphenylsilane?
The canonical SMILES for [(1E)-dodeca-1,11-dienyl]-triphenylsilane is C=CCCCCCCCC/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1E)-dodeca-1,11-dienyl]-triphenylsilane?
The InChIKey is MLLDOJSFKNIEIC-NHFJDJAPSA-N. The full InChI is InChI=1S/C30H36Si/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30/h2,11-27H,1,3-10H2/b27-20+.
What are the key properties of [(1E)-dodeca-1,11-dienyl]-triphenylsilane?
[(1E)-dodeca-1,11-dienyl]-triphenylsilane has a molecular weight of 424.70 g/mol, XLogP of 6.56, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-dodeca-1,11-dienyl]-triphenylsilane is sourced from PubChem (CID 135057523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).