trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane

C18H24O6Si2 — CID 164816186

IUPACtrimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane
SMILESCO[Si](COc1ccc2c(c1)CO[Si](C)(c1ccccc1)O2)(OC)OC
InChIInChI=1S/C18H24O6Si2/c1-19-26(20-2,21-3)14-22-16-10-11-18-15(12-16)13-23-25(4,24-18)17-8-6-5-7-9-17/h5-12H,13-14H2,1-4H3
InChIKeyXVUZTWXAGXFHOY-UHFFFAOYSA-N
MW392.56 g/mol
LogP2.37
Rot. Bonds7

About trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane

trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane (PubChem CID 164816186) has the molecular formula C18H24O6Si2 and a molecular weight of 392.56 g/mol. Its IUPAC name is trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane.

Molecular Properties

Compound Nametrimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane
PubChem CID164816186
Molecular FormulaC18H24O6Si2
Molecular Weight392.56 g/mol
Exact Mass392.11
IUPAC Nametrimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane
SMILESCO[Si](COc1ccc2c(c1)CO[Si](C)(c1ccccc1)O2)(OC)OC
InChIInChI=1S/C18H24O6Si2/c1-19-26(20-2,21-3)14-22-16-10-11-18-15(12-16)13-23-25(4,24-18)17-8-6-5-7-9-17/h5-12H,13-14H2,1-4H3
InChIKeyXVUZTWXAGXFHOY-UHFFFAOYSA-N
XLogP2.37
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.56
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane?
The IUPAC name of trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane (CID 164816186) is trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane.
What is the SMILES notation for trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane?
The canonical SMILES for trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane is CO[Si](COc1ccc2c(c1)CO[Si](C)(c1ccccc1)O2)(OC)OC.
What is the InChIKey of trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane?
The InChIKey is XVUZTWXAGXFHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6Si2/c1-19-26(20-2,21-3)14-22-16-10-11-18-15(12-16)13-23-25(4,24-18)17-8-6-5-7-9-17/h5-12H,13-14H2,1-4H3.
What are the key properties of trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane?
trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane has a molecular weight of 392.56 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane is sourced from PubChem (CID 164816186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).