triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane

C17H28O4Si — CID 18672772

IUPACtriethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC)O/C=C/c1ccccc1
InChIInChI=1S/C17H28O4Si/c1-5-17(18-15-14-16-12-10-9-11-13-16)22(19-6-2,20-7-3)21-8-4/h9-15,17H,5-8H2,1-4H3/b15-14+
InChIKeyCSKJIUFUKYYPDV-CCEZHUSRSA-N
MW324.49 g/mol
LogP4.04
Rot. Bonds11

About triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane

triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane (PubChem CID 18672772) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane
PubChem CID18672772
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Nametriethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC)O/C=C/c1ccccc1
InChIInChI=1S/C17H28O4Si/c1-5-17(18-15-14-16-12-10-9-11-13-16)22(19-6-2,20-7-3)21-8-4/h9-15,17H,5-8H2,1-4H3/b15-14+
InChIKeyCSKJIUFUKYYPDV-CCEZHUSRSA-N
XLogP4.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane?
The IUPAC name of triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane (CID 18672772) is triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane.
What is the SMILES notation for triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane?
The canonical SMILES for triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane is CCO[Si](OCC)(OCC)C(CC)O/C=C/c1ccccc1.
What is the InChIKey of triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane?
The InChIKey is CSKJIUFUKYYPDV-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-5-17(18-15-14-16-12-10-9-11-13-16)22(19-6-2,20-7-3)21-8-4/h9-15,17H,5-8H2,1-4H3/b15-14+.
What are the key properties of triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane?
triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane has a molecular weight of 324.49 g/mol, XLogP of 4.04, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-[(E)-2-phenylethenoxy]propyl]silane is sourced from PubChem (CID 18672772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).