4-(1-trimethoxysilylethyl)phenol

C22H36O8Si2 — CID 162187411

IUPAC4-(1-trimethoxysilylethyl)phenol
SMILESCO[Si](OC)(OC)C(C)c1ccc(O)cc1.CO[Si](OC)(OC)C(C)c1ccc(O)cc1
InChIInChI=1S/2C11H18O4Si/c2*1-9(16(13-2,14-3)15-4)10-5-7-11(12)8-6-10/h2*5-9,12H,1-4H3
InChIKeyZPVNOTJWQJIWBM-UHFFFAOYSA-N
MW484.69 g/mol
LogP3.83
Rot. Bonds10

About 4-(1-trimethoxysilylethyl)phenol

4-(1-trimethoxysilylethyl)phenol (PubChem CID 162187411) has the molecular formula C22H36O8Si2 and a molecular weight of 484.69 g/mol. Its IUPAC name is 4-(1-trimethoxysilylethyl)phenol.

Molecular Properties

Compound Name4-(1-trimethoxysilylethyl)phenol
PubChem CID162187411
Molecular FormulaC22H36O8Si2
Molecular Weight484.69 g/mol
Exact Mass484.19
IUPAC Name4-(1-trimethoxysilylethyl)phenol
SMILESCO[Si](OC)(OC)C(C)c1ccc(O)cc1.CO[Si](OC)(OC)C(C)c1ccc(O)cc1
InChIInChI=1S/2C11H18O4Si/c2*1-9(16(13-2,14-3)15-4)10-5-7-11(12)8-6-10/h2*5-9,12H,1-4H3
InChIKeyZPVNOTJWQJIWBM-UHFFFAOYSA-N
XLogP3.83
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 4-(1-trimethoxysilylethyl)phenol?
The IUPAC name of 4-(1-trimethoxysilylethyl)phenol (CID 162187411) is 4-(1-trimethoxysilylethyl)phenol.
What is the SMILES notation for 4-(1-trimethoxysilylethyl)phenol?
The canonical SMILES for 4-(1-trimethoxysilylethyl)phenol is CO[Si](OC)(OC)C(C)c1ccc(O)cc1.CO[Si](OC)(OC)C(C)c1ccc(O)cc1.
What is the InChIKey of 4-(1-trimethoxysilylethyl)phenol?
The InChIKey is ZPVNOTJWQJIWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H18O4Si/c2*1-9(16(13-2,14-3)15-4)10-5-7-11(12)8-6-10/h2*5-9,12H,1-4H3.
What are the key properties of 4-(1-trimethoxysilylethyl)phenol?
4-(1-trimethoxysilylethyl)phenol has a molecular weight of 484.69 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-trimethoxysilylethyl)phenol is sourced from PubChem (CID 162187411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).