trihydroxy-(2,3,4-triethylphenoxy)silane

C12H20O4Si — CID 171477195

IUPACtrihydroxy-(2,3,4-triethylphenoxy)silane
SMILESCCc1ccc(O[Si](O)(O)O)c(CC)c1CC
InChIInChI=1S/C12H20O4Si/c1-4-9-7-8-12(16-17(13,14)15)11(6-3)10(9)5-2/h7-8,13-15H,4-6H2,1-3H3
InChIKeyUVVJNOFXPSDFBL-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.17
Rot. Bonds5

About trihydroxy-(2,3,4-triethylphenoxy)silane

trihydroxy-(2,3,4-triethylphenoxy)silane (PubChem CID 171477195) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is trihydroxy-(2,3,4-triethylphenoxy)silane.

Molecular Properties

Compound Nametrihydroxy-(2,3,4-triethylphenoxy)silane
PubChem CID171477195
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Nametrihydroxy-(2,3,4-triethylphenoxy)silane
SMILESCCc1ccc(O[Si](O)(O)O)c(CC)c1CC
InChIInChI=1S/C12H20O4Si/c1-4-9-7-8-12(16-17(13,14)15)11(6-3)10(9)5-2/h7-8,13-15H,4-6H2,1-3H3
InChIKeyUVVJNOFXPSDFBL-UHFFFAOYSA-N
XLogP1.17
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 trihydroxy-(2,3,4-triethylphenoxy)silane?
The IUPAC name of trihydroxy-(2,3,4-triethylphenoxy)silane (CID 171477195) is trihydroxy-(2,3,4-triethylphenoxy)silane.
What is the SMILES notation for trihydroxy-(2,3,4-triethylphenoxy)silane?
The canonical SMILES for trihydroxy-(2,3,4-triethylphenoxy)silane is CCc1ccc(O[Si](O)(O)O)c(CC)c1CC.
What is the InChIKey of trihydroxy-(2,3,4-triethylphenoxy)silane?
The InChIKey is UVVJNOFXPSDFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-4-9-7-8-12(16-17(13,14)15)11(6-3)10(9)5-2/h7-8,13-15H,4-6H2,1-3H3.
What are the key properties of trihydroxy-(2,3,4-triethylphenoxy)silane?
trihydroxy-(2,3,4-triethylphenoxy)silane has a molecular weight of 256.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(2,3,4-triethylphenoxy)silane is sourced from PubChem (CID 171477195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).