ethenyl-hex-4-yn-3-yloxy-diphenylsilane

C20H22OSi — CID 531354

IUPACethenyl-hex-4-yn-3-yloxy-diphenylsilane
SMILESC=C[Si](OC(C#CC)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22OSi/c1-4-13-18(5-2)21-22(6-3,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h6-12,14-18H,3,5H2,1-2H3
InChIKeyBZGHOFUJMHTMNC-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.29
Rot. Bonds6

About ethenyl-hex-4-yn-3-yloxy-diphenylsilane

ethenyl-hex-4-yn-3-yloxy-diphenylsilane (PubChem CID 531354) has the molecular formula C20H22OSi and a molecular weight of 306.48 g/mol. Its IUPAC name is ethenyl-hex-4-yn-3-yloxy-diphenylsilane.

Molecular Properties

Compound Nameethenyl-hex-4-yn-3-yloxy-diphenylsilane
PubChem CID531354
Molecular FormulaC20H22OSi
Molecular Weight306.48 g/mol
Exact Mass306.14
IUPAC Nameethenyl-hex-4-yn-3-yloxy-diphenylsilane
SMILESC=C[Si](OC(C#CC)CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22OSi/c1-4-13-18(5-2)21-22(6-3,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h6-12,14-18H,3,5H2,1-2H3
InChIKeyBZGHOFUJMHTMNC-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethenyl-hex-4-yn-3-yloxy-diphenylsilane?
The IUPAC name of ethenyl-hex-4-yn-3-yloxy-diphenylsilane (CID 531354) is ethenyl-hex-4-yn-3-yloxy-diphenylsilane.
What is the SMILES notation for ethenyl-hex-4-yn-3-yloxy-diphenylsilane?
The canonical SMILES for ethenyl-hex-4-yn-3-yloxy-diphenylsilane is C=C[Si](OC(C#CC)CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethenyl-hex-4-yn-3-yloxy-diphenylsilane?
The InChIKey is BZGHOFUJMHTMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22OSi/c1-4-13-18(5-2)21-22(6-3,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h6-12,14-18H,3,5H2,1-2H3.
What are the key properties of ethenyl-hex-4-yn-3-yloxy-diphenylsilane?
ethenyl-hex-4-yn-3-yloxy-diphenylsilane has a molecular weight of 306.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-hex-4-yn-3-yloxy-diphenylsilane is sourced from PubChem (CID 531354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).