triethoxy-(4-methylphenyl)silane

C13H22O3Si — CID 4670738

IUPACtriethoxy-(4-methylphenyl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc(C)cc1
InChIInChI=1S/C13H22O3Si/c1-5-14-17(15-6-2,16-7-3)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3
InChIKeyPADYPAQRESYCQZ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.25
Rot. Bonds7

About triethoxy-(4-methylphenyl)silane

triethoxy-(4-methylphenyl)silane (PubChem CID 4670738) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is triethoxy-(4-methylphenyl)silane.

Molecular Properties

Compound Nametriethoxy-(4-methylphenyl)silane
PubChem CID4670738
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Nametriethoxy-(4-methylphenyl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc(C)cc1
InChIInChI=1S/C13H22O3Si/c1-5-14-17(15-6-2,16-7-3)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3
InChIKeyPADYPAQRESYCQZ-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy-(4-methylphenyl)silane?
The IUPAC name of triethoxy-(4-methylphenyl)silane (CID 4670738) is triethoxy-(4-methylphenyl)silane.
What is the SMILES notation for triethoxy-(4-methylphenyl)silane?
The canonical SMILES for triethoxy-(4-methylphenyl)silane is CCO[Si](OCC)(OCC)c1ccc(C)cc1.
What is the InChIKey of triethoxy-(4-methylphenyl)silane?
The InChIKey is PADYPAQRESYCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-5-14-17(15-6-2,16-7-3)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3.
What are the key properties of triethoxy-(4-methylphenyl)silane?
triethoxy-(4-methylphenyl)silane has a molecular weight of 254.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(4-methylphenyl)silane is sourced from PubChem (CID 4670738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).