benzyl-methyl-diphenoxysilane

C20H20O2Si — CID 140892779

IUPACbenzyl-methyl-diphenoxysilane
SMILESC[Si](Cc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H20O2Si/c1-23(17-18-11-5-2-6-12-18,21-19-13-7-3-8-14-19)22-20-15-9-4-10-16-20/h2-16H,17H2,1H3
InChIKeyRXBGXNQIPJTUGA-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.00
Rot. Bonds6

About benzyl-methyl-diphenoxysilane

benzyl-methyl-diphenoxysilane (PubChem CID 140892779) has the molecular formula C20H20O2Si and a molecular weight of 320.46 g/mol. Its IUPAC name is benzyl-methyl-diphenoxysilane.

Molecular Properties

Compound Namebenzyl-methyl-diphenoxysilane
PubChem CID140892779
Molecular FormulaC20H20O2Si
Molecular Weight320.46 g/mol
Exact Mass320.12
IUPAC Namebenzyl-methyl-diphenoxysilane
SMILESC[Si](Cc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H20O2Si/c1-23(17-18-11-5-2-6-12-18,21-19-13-7-3-8-14-19)22-20-15-9-4-10-16-20/h2-16H,17H2,1H3
InChIKeyRXBGXNQIPJTUGA-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 benzyl-methyl-diphenoxysilane?
The IUPAC name of benzyl-methyl-diphenoxysilane (CID 140892779) is benzyl-methyl-diphenoxysilane.
What is the SMILES notation for benzyl-methyl-diphenoxysilane?
The canonical SMILES for benzyl-methyl-diphenoxysilane is C[Si](Cc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of benzyl-methyl-diphenoxysilane?
The InChIKey is RXBGXNQIPJTUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2Si/c1-23(17-18-11-5-2-6-12-18,21-19-13-7-3-8-14-19)22-20-15-9-4-10-16-20/h2-16H,17H2,1H3.
What are the key properties of benzyl-methyl-diphenoxysilane?
benzyl-methyl-diphenoxysilane has a molecular weight of 320.46 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-diphenoxysilane is sourced from PubChem (CID 140892779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).