(2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane

C13H20O5Si2 — CID 164816345

IUPAC(2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane
SMILESC=C[Si]1(C)OCc2cc([Si](OC)(OC)OC)ccc2O1
InChIInChI=1S/C13H20O5Si2/c1-6-19(5)17-10-11-9-12(7-8-13(11)18-19)20(14-2,15-3)16-4/h6-9H,1,10H2,2-5H3
InChIKeySNFWQCXFWLOIOR-UHFFFAOYSA-N
MW312.47 g/mol
LogP1.48
Rot. Bonds5

About (2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane

(2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane (PubChem CID 164816345) has the molecular formula C13H20O5Si2 and a molecular weight of 312.47 g/mol. Its IUPAC name is (2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane.

Molecular Properties

Compound Name(2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane
PubChem CID164816345
Molecular FormulaC13H20O5Si2
Molecular Weight312.47 g/mol
Exact Mass312.08
IUPAC Name(2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane
SMILESC=C[Si]1(C)OCc2cc([Si](OC)(OC)OC)ccc2O1
InChIInChI=1S/C13H20O5Si2/c1-6-19(5)17-10-11-9-12(7-8-13(11)18-19)20(14-2,15-3)16-4/h6-9H,1,10H2,2-5H3
InChIKeySNFWQCXFWLOIOR-UHFFFAOYSA-N
XLogP1.48
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-6-triethoxysilyl-4H-1,3,2-benzodioxasilin-2-yl)propan-1-amine
CID 164816495
(2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane
CID 164816144
trimethoxy-[(2-methyl-2-phenyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane
CID 164816186
dimethoxy-methyl-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816398
trimethoxy-[[2-methyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silane
CID 164816264
anthracen-2-yl(trimethoxy)silane
CID 87375870
2-prop-2-enyl-4-trimethoxysilylphenol
CID 139623862
trichloro-(4-trimethoxysilylphenyl)silane
CID 59207169
trimethoxy-(4-prop-2-enylphenyl)silane
CID 66685892
(6-tert-butylnaphthalen-2-yl)-trimethoxysilane
CID 157107144
[4-[dimethoxy(methyl)silyl]phenyl]-dimethoxy-methylsilane
CID 12040565
3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 157394906

Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane?
The IUPAC name of (2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane (CID 164816345) is (2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane.
What is the SMILES notation for (2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane?
The canonical SMILES for (2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane is C=C[Si]1(C)OCc2cc([Si](OC)(OC)OC)ccc2O1.
What is the InChIKey of (2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane?
The InChIKey is SNFWQCXFWLOIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5Si2/c1-6-19(5)17-10-11-9-12(7-8-13(11)18-19)20(14-2,15-3)16-4/h6-9H,1,10H2,2-5H3.
What are the key properties of (2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane?
(2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane has a molecular weight of 312.47 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)-trimethoxysilane is sourced from PubChem (CID 164816345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).