triethoxy-[2-(2-methylphenyl)ethyl]silane

C15H26O3Si — CID 57138972

IUPACtriethoxy-[2-(2-methylphenyl)ethyl]silane
SMILESCCO[Si](CCc1ccccc1C)(OCC)OCC
InChIInChI=1S/C15H26O3Si/c1-5-16-19(17-6-2,18-7-3)13-12-15-11-9-8-10-14(15)4/h8-11H,5-7,12-13H2,1-4H3
InChIKeyXPPIYMPKNLZMQW-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.59
Rot. Bonds9

About triethoxy-[2-(2-methylphenyl)ethyl]silane

triethoxy-[2-(2-methylphenyl)ethyl]silane (PubChem CID 57138972) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is triethoxy-[2-(2-methylphenyl)ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(2-methylphenyl)ethyl]silane
PubChem CID57138972
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Nametriethoxy-[2-(2-methylphenyl)ethyl]silane
SMILESCCO[Si](CCc1ccccc1C)(OCC)OCC
InChIInChI=1S/C15H26O3Si/c1-5-16-19(17-6-2,18-7-3)13-12-15-11-9-8-10-14(15)4/h8-11H,5-7,12-13H2,1-4H3
InChIKeyXPPIYMPKNLZMQW-UHFFFAOYSA-N
XLogP3.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.59
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-[2-(2-methylphenyl)ethyl]silane?
The IUPAC name of triethoxy-[2-(2-methylphenyl)ethyl]silane (CID 57138972) is triethoxy-[2-(2-methylphenyl)ethyl]silane.
What is the SMILES notation for triethoxy-[2-(2-methylphenyl)ethyl]silane?
The canonical SMILES for triethoxy-[2-(2-methylphenyl)ethyl]silane is CCO[Si](CCc1ccccc1C)(OCC)OCC.
What is the InChIKey of triethoxy-[2-(2-methylphenyl)ethyl]silane?
The InChIKey is XPPIYMPKNLZMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-5-16-19(17-6-2,18-7-3)13-12-15-11-9-8-10-14(15)4/h8-11H,5-7,12-13H2,1-4H3.
What are the key properties of triethoxy-[2-(2-methylphenyl)ethyl]silane?
triethoxy-[2-(2-methylphenyl)ethyl]silane has a molecular weight of 282.46 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(2-methylphenyl)ethyl]silane is sourced from PubChem (CID 57138972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).