4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane

C11H18O6Si2 — CID 164816006

IUPAC4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane
SMILESCO[Si](COc1ccc2c(c1)CO[SiH2]O2)(OC)OC
InChIInChI=1S/C11H18O6Si2/c1-12-19(13-2,14-3)8-15-10-4-5-11-9(6-10)7-16-18-17-11/h4-6H,7-8,18H2,1-3H3
InChIKeyYQYWSOLXRYWRGY-UHFFFAOYSA-N
MW302.43 g/mol
LogP0.39
Rot. Bonds6

About 4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane

4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane (PubChem CID 164816006) has the molecular formula C11H18O6Si2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane.

Molecular Properties

Compound Name4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane
PubChem CID164816006
Molecular FormulaC11H18O6Si2
Molecular Weight302.43 g/mol
Exact Mass302.06
IUPAC Name4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane
SMILESCO[Si](COc1ccc2c(c1)CO[SiH2]O2)(OC)OC
InChIInChI=1S/C11H18O6Si2/c1-12-19(13-2,14-3)8-15-10-4-5-11-9(6-10)7-16-18-17-11/h4-6H,7-8,18H2,1-3H3
InChIKeyYQYWSOLXRYWRGY-UHFFFAOYSA-N
XLogP0.39
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 50.39
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 4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane?
The IUPAC name of 4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane (CID 164816006) is 4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane.
What is the SMILES notation for 4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane?
The canonical SMILES for 4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane is CO[Si](COc1ccc2c(c1)CO[SiH2]O2)(OC)OC.
What is the InChIKey of 4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane?
The InChIKey is YQYWSOLXRYWRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6Si2/c1-12-19(13-2,14-3)8-15-10-4-5-11-9(6-10)7-16-18-17-11/h4-6H,7-8,18H2,1-3H3.
What are the key properties of 4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane?
4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane has a molecular weight of 302.43 g/mol, XLogP of 0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane is sourced from PubChem (CID 164816006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).