[(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane

C18H26Si — CID 11425713

IUPAC[(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane
SMILESCC(/C=C/C1=CCCCC1)=C\C=C\C#C[Si](C)(C)C
InChIInChI=1S/C18H26Si/c1-17(11-7-6-10-16-19(2,3)4)14-15-18-12-8-5-9-13-18/h6-7,11-12,14-15H,5,8-9,13H2,1-4H3/b7-6+,15-14+,17-11+
InChIKeyDNEFUELNHIRRCM-DGJPRMQZSA-N
MW270.49 g/mol
LogP5.43
Rot. Bonds3

About [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane

[(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane (PubChem CID 11425713) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane
PubChem CID11425713
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Name[(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane
SMILESCC(/C=C/C1=CCCCC1)=C\C=C\C#C[Si](C)(C)C
InChIInChI=1S/C18H26Si/c1-17(11-7-6-10-16-19(2,3)4)14-15-18-12-8-5-9-13-18/h6-7,11-12,14-15H,5,8-9,13H2,1-4H3/b7-6+,15-14+,17-11+
InChIKeyDNEFUELNHIRRCM-DGJPRMQZSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.49
LogP ≤ 55.43
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane with MolForge

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Related Compounds

(1-Cyclohexen-1-ylethynyl)trimethylsilane
CID 11816203
2-(Cyclohexen-1-yl)ethynyl-triethyl-silane
CID 134948291
[(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
2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
(3-Trimethylsilanyl-prop-2-ynylidene)-cyclohexane
CID 12750871
[(E)-cyclohex-2-en-1-ylidenemethyl]-trimethylsilane
CID 11030206
trimethyl-[(2E)-5-pentyldeca-2,4-dienyl]silane
CID 11196759
[(3E,5Z,7E)-6-bromo-8-(cyclohexen-1-yl)octa-3,5,7-trien-1-ynyl]-trimethylsilane
CID 11302098
[(3E,5E)-dodeca-3,5-dien-1-ynyl]-trimethylsilane
CID 11458981
[3-(10-Bicyclo[4.3.1]deca-1,3,5-trienylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 12118361

Frequently Asked Questions

What is the IUPAC name of [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane (CID 11425713) is [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane is CC(/C=C/C1=CCCCC1)=C\C=C\C#C[Si](C)(C)C.
What is the InChIKey of [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane?
The InChIKey is DNEFUELNHIRRCM-DGJPRMQZSA-N. The full InChI is InChI=1S/C18H26Si/c1-17(11-7-6-10-16-19(2,3)4)14-15-18-12-8-5-9-13-18/h6-7,11-12,14-15H,5,8-9,13H2,1-4H3/b7-6+,15-14+,17-11+.
What are the key properties of [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane?
[(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane has a molecular weight of 270.49 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11425713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).