benzyl-diethoxy-methylsilane

C12H20O2Si — CID 15935076

IUPACbenzyl-diethoxy-methylsilane
SMILESCCO[Si](C)(Cc1ccccc1)OCC
InChIInChI=1S/C12H20O2Si/c1-4-13-15(3,14-5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyVLKGHSKMEBJFAK-UHFFFAOYSA-N
MW224.38 g/mol
LogP2.91
Rot. Bonds6

About benzyl-diethoxy-methylsilane

benzyl-diethoxy-methylsilane (PubChem CID 15935076) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is benzyl-diethoxy-methylsilane.

Molecular Properties

Compound Namebenzyl-diethoxy-methylsilane
PubChem CID15935076
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Namebenzyl-diethoxy-methylsilane
SMILESCCO[Si](C)(Cc1ccccc1)OCC
InChIInChI=1S/C12H20O2Si/c1-4-13-15(3,14-5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyVLKGHSKMEBJFAK-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 52.91
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-diethoxy-methylsilane?
The IUPAC name of benzyl-diethoxy-methylsilane (CID 15935076) is benzyl-diethoxy-methylsilane.
What is the SMILES notation for benzyl-diethoxy-methylsilane?
The canonical SMILES for benzyl-diethoxy-methylsilane is CCO[Si](C)(Cc1ccccc1)OCC.
What is the InChIKey of benzyl-diethoxy-methylsilane?
The InChIKey is VLKGHSKMEBJFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-4-13-15(3,14-5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3.
What are the key properties of benzyl-diethoxy-methylsilane?
benzyl-diethoxy-methylsilane has a molecular weight of 224.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diethoxy-methylsilane is sourced from PubChem (CID 15935076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).