1,3-diphenylprop-2-ynyl(triethyl)silane

C21H26Si — CID 166443845

IUPAC1,3-diphenylprop-2-ynyl(triethyl)silane
SMILESCC[Si](CC)(CC)C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H26Si/c1-4-22(5-2,6-3)21(20-15-11-8-12-16-20)18-17-19-13-9-7-10-14-19/h7-16,21H,4-6H2,1-3H3
InChIKeyHBUBVMAEAFXSAM-UHFFFAOYSA-N
MW306.53 g/mol
LogP5.87
Rot. Bonds5

About 1,3-diphenylprop-2-ynyl(triethyl)silane

1,3-diphenylprop-2-ynyl(triethyl)silane (PubChem CID 166443845) has the molecular formula C21H26Si and a molecular weight of 306.53 g/mol. Its IUPAC name is 1,3-diphenylprop-2-ynyl(triethyl)silane.

Molecular Properties

Compound Name1,3-diphenylprop-2-ynyl(triethyl)silane
PubChem CID166443845
Molecular FormulaC21H26Si
Molecular Weight306.53 g/mol
Exact Mass306.18
IUPAC Name1,3-diphenylprop-2-ynyl(triethyl)silane
SMILESCC[Si](CC)(CC)C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H26Si/c1-4-22(5-2,6-3)21(20-15-11-8-12-16-20)18-17-19-13-9-7-10-14-19/h7-16,21H,4-6H2,1-3H3
InChIKeyHBUBVMAEAFXSAM-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylprop-2-ynyl(triethyl)silane?
The IUPAC name of 1,3-diphenylprop-2-ynyl(triethyl)silane (CID 166443845) is 1,3-diphenylprop-2-ynyl(triethyl)silane.
What is the SMILES notation for 1,3-diphenylprop-2-ynyl(triethyl)silane?
The canonical SMILES for 1,3-diphenylprop-2-ynyl(triethyl)silane is CC[Si](CC)(CC)C(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylprop-2-ynyl(triethyl)silane?
The InChIKey is HBUBVMAEAFXSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Si/c1-4-22(5-2,6-3)21(20-15-11-8-12-16-20)18-17-19-13-9-7-10-14-19/h7-16,21H,4-6H2,1-3H3.
What are the key properties of 1,3-diphenylprop-2-ynyl(triethyl)silane?
1,3-diphenylprop-2-ynyl(triethyl)silane has a molecular weight of 306.53 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylprop-2-ynyl(triethyl)silane is sourced from PubChem (CID 166443845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).