dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane

C31H54Si — CID 14227308

IUPACdimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C[Si](C)(C)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C31H54Si/c1-26(2)15-11-17-28(5)19-13-21-30(7)23-24-32(9,10)25-31(8)22-14-20-29(6)18-12-16-27(3)4/h15-16,19-20,23,25H,11-14,17-18,21-22,24H2,1-10H3/b28-19+,29-20+,30-23+,31-25+
InChIKeyLRQAZAWNSYHVPT-XISNVFLFSA-N
MW454.86 g/mol
LogP11.07
Rot. Bonds15

About dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane

dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane (PubChem CID 14227308) has the molecular formula C31H54Si and a molecular weight of 454.86 g/mol. Its IUPAC name is dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane.

Molecular Properties

Compound Namedimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane
PubChem CID14227308
Molecular FormulaC31H54Si
Molecular Weight454.86 g/mol
Exact Mass454.40
IUPAC Namedimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C[Si](C)(C)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C31H54Si/c1-26(2)15-11-17-28(5)19-13-21-30(7)23-24-32(9,10)25-31(8)22-14-20-29(6)18-12-16-27(3)4/h15-16,19-20,23,25H,11-14,17-18,21-22,24H2,1-10H3/b28-19+,29-20+,30-23+,31-25+
InChIKeyLRQAZAWNSYHVPT-XISNVFLFSA-N
XLogP11.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.86
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane with MolForge

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Related Compounds

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2-Cyclohexylideneethyl(triethyl)silane
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(2,4-Dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
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2-(Cyclopenten-1-yl)ethyl-trimethylsilane
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CID 12489209

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane?
The IUPAC name of dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane (CID 14227308) is dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane.
What is the SMILES notation for dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane?
The canonical SMILES for dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane is CC(C)=CCC/C(C)=C/CC/C(C)=C/C[Si](C)(C)/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane?
The InChIKey is LRQAZAWNSYHVPT-XISNVFLFSA-N. The full InChI is InChI=1S/C31H54Si/c1-26(2)15-11-17-28(5)19-13-21-30(7)23-24-32(9,10)25-31(8)22-14-20-29(6)18-12-16-27(3)4/h15-16,19-20,23,25H,11-14,17-18,21-22,24H2,1-10H3/b28-19+,29-20+,30-23+,31-25+.
What are the key properties of dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane?
dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane has a molecular weight of 454.86 g/mol, XLogP of 11.07, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane is sourced from PubChem (CID 14227308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).