(2-methylphenyl)-triphenoxysilane

C25H22O3Si — CID 69286359

IUPAC(2-methylphenyl)-triphenoxysilane
SMILESCc1ccccc1[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C25H22O3Si/c1-21-13-11-12-20-25(21)29(26-22-14-5-2-6-15-22,27-23-16-7-3-8-17-23)28-24-18-9-4-10-19-24/h2-20H,1H3
InChIKeyCCIKQTFGSYIJCZ-UHFFFAOYSA-N
MW398.53 g/mol
LogP5.38
Rot. Bonds7

About (2-methylphenyl)-triphenoxysilane

(2-methylphenyl)-triphenoxysilane (PubChem CID 69286359) has the molecular formula C25H22O3Si and a molecular weight of 398.53 g/mol. Its IUPAC name is (2-methylphenyl)-triphenoxysilane.

Molecular Properties

Compound Name(2-methylphenyl)-triphenoxysilane
PubChem CID69286359
Molecular FormulaC25H22O3Si
Molecular Weight398.53 g/mol
Exact Mass398.13
IUPAC Name(2-methylphenyl)-triphenoxysilane
SMILESCc1ccccc1[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C25H22O3Si/c1-21-13-11-12-20-25(21)29(26-22-14-5-2-6-15-22,27-23-16-7-3-8-17-23)28-24-18-9-4-10-19-24/h2-20H,1H3
InChIKeyCCIKQTFGSYIJCZ-UHFFFAOYSA-N
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.38
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 (2-methylphenyl)-triphenoxysilane?
The IUPAC name of (2-methylphenyl)-triphenoxysilane (CID 69286359) is (2-methylphenyl)-triphenoxysilane.
What is the SMILES notation for (2-methylphenyl)-triphenoxysilane?
The canonical SMILES for (2-methylphenyl)-triphenoxysilane is Cc1ccccc1[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2-methylphenyl)-triphenoxysilane?
The InChIKey is CCIKQTFGSYIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3Si/c1-21-13-11-12-20-25(21)29(26-22-14-5-2-6-15-22,27-23-16-7-3-8-17-23)28-24-18-9-4-10-19-24/h2-20H,1H3.
What are the key properties of (2-methylphenyl)-triphenoxysilane?
(2-methylphenyl)-triphenoxysilane has a molecular weight of 398.53 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-triphenoxysilane is sourced from PubChem (CID 69286359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).