cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane

C24H18OSi — CID 20565338

IUPACcyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane
SMILESc1cccc(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c#1
InChIInChI=1S/C24H18OSi/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-5,7-13,15-20H
InChIKeyDRDWYOVFCWVNEG-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.33
Rot. Bonds5

About cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane

cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane (PubChem CID 20565338) has the molecular formula C24H18OSi and a molecular weight of 350.49 g/mol. Its IUPAC name is cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane.

Molecular Properties

Compound Namecyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane
PubChem CID20565338
Molecular FormulaC24H18OSi
Molecular Weight350.49 g/mol
Exact Mass350.11
IUPAC Namecyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane
SMILESc1cccc(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c#1
InChIInChI=1S/C24H18OSi/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-5,7-13,15-20H
InChIKeyDRDWYOVFCWVNEG-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane?
The IUPAC name of cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane (CID 20565338) is cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane.
What is the SMILES notation for cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane?
The canonical SMILES for cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane is c1cccc(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c#1.
What is the InChIKey of cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane?
The InChIKey is DRDWYOVFCWVNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18OSi/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-5,7-13,15-20H.
What are the key properties of cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane?
cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane has a molecular weight of 350.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-5-yn-1-yloxy(triphenyl)silane is sourced from PubChem (CID 20565338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).