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

C18H30O8Si2 — CID 164816264

IUPACtrimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane
SMILESCO[Si](COc1ccc2c(c1)CO[Si](C)(CCCOCC1CO1)O2)(OC)OC
InChIInChI=1S/C18H30O8Si2/c1-19-28(20-2,21-3)14-24-16-6-7-18-15(10-16)11-25-27(4,26-18)9-5-8-22-12-17-13-23-17/h6-7,10,17H,5,8-9,11-14H2,1-4H3
InChIKeyDSVVJWWGVSPGIO-UHFFFAOYSA-N
MW430.60 g/mol
LogP2.27
Rot. Bonds12

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

trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane (PubChem CID 164816264) has the molecular formula C18H30O8Si2 and a molecular weight of 430.60 g/mol. Its IUPAC name is trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane.

Molecular Properties

Compound Nametrimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane
PubChem CID164816264
Molecular FormulaC18H30O8Si2
Molecular Weight430.60 g/mol
Exact Mass430.15
IUPAC Nametrimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane
SMILESCO[Si](COc1ccc2c(c1)CO[Si](C)(CCCOCC1CO1)O2)(OC)OC
InChIInChI=1S/C18H30O8Si2/c1-19-28(20-2,21-3)14-24-16-6-7-18-15(10-16)11-25-27(4,26-18)9-5-8-22-12-17-13-23-17/h6-7,10,17H,5,8-9,11-14H2,1-4H3
InChIKeyDSVVJWWGVSPGIO-UHFFFAOYSA-N
XLogP2.27
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane?
The IUPAC name of trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane (CID 164816264) is trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane.
What is the SMILES notation for trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane?
The canonical SMILES for trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane is CO[Si](COc1ccc2c(c1)CO[Si](C)(CCCOCC1CO1)O2)(OC)OC.
What is the InChIKey of trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane?
The InChIKey is DSVVJWWGVSPGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O8Si2/c1-19-28(20-2,21-3)14-24-16-6-7-18-15(10-16)11-25-27(4,26-18)9-5-8-22-12-17-13-23-17/h6-7,10,17H,5,8-9,11-14H2,1-4H3.
What are the key properties of trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane?
trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane has a molecular weight of 430.60 g/mol, XLogP of 2.27, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane is sourced from PubChem (CID 164816264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).