methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane

C25H26O2Si — CID 59467325

IUPACmethyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane
SMILESC[Si](c1ccccc1)(c1ccc(CC2CO2)cc1)c1ccc(CC2CO2)cc1
InChIInChI=1S/C25H26O2Si/c1-28(23-5-3-2-4-6-23,24-11-7-19(8-12-24)15-21-17-26-21)25-13-9-20(10-14-25)16-22-18-27-22/h2-14,21-22H,15-18H2,1H3
InChIKeyBMEMAGOVXYLSAV-UHFFFAOYSA-N
MW386.57 g/mol
LogP2.67
Rot. Bonds7

About methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane

methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane (PubChem CID 59467325) has the molecular formula C25H26O2Si and a molecular weight of 386.57 g/mol. Its IUPAC name is methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane.

Molecular Properties

Compound Namemethyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane
PubChem CID59467325
Molecular FormulaC25H26O2Si
Molecular Weight386.57 g/mol
Exact Mass386.17
IUPAC Namemethyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane
SMILESC[Si](c1ccccc1)(c1ccc(CC2CO2)cc1)c1ccc(CC2CO2)cc1
InChIInChI=1S/C25H26O2Si/c1-28(23-5-3-2-4-6-23,24-11-7-19(8-12-24)15-21-17-26-21)25-13-9-20(10-14-25)16-22-18-27-22/h2-14,21-22H,15-18H2,1H3
InChIKeyBMEMAGOVXYLSAV-UHFFFAOYSA-N
XLogP2.67
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane?
The IUPAC name of methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane (CID 59467325) is methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane.
What is the SMILES notation for methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane?
The canonical SMILES for methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane is C[Si](c1ccccc1)(c1ccc(CC2CO2)cc1)c1ccc(CC2CO2)cc1.
What is the InChIKey of methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane?
The InChIKey is BMEMAGOVXYLSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2Si/c1-28(23-5-3-2-4-6-23,24-11-7-19(8-12-24)15-21-17-26-21)25-13-9-20(10-14-25)16-22-18-27-22/h2-14,21-22H,15-18H2,1H3.
What are the key properties of methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane?
methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane has a molecular weight of 386.57 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane is sourced from PubChem (CID 59467325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).