diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane

C17H38O7Si2 — CID 150689843

IUPACdiethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane
SMILESCCC[Si](OCC)(OCC)C(OCC1CO1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H38O7Si2/c1-7-13-25(20-8-2,21-9-3)17(19-15-16-14-18-16)26(22-10-4,23-11-5)24-12-6/h16-17H,7-15H2,1-6H3
InChIKeyJJQMBBQCYXDSFC-UHFFFAOYSA-N
MW410.66 g/mol
LogP2.82
Rot. Bonds17

About diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane

diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane (PubChem CID 150689843) has the molecular formula C17H38O7Si2 and a molecular weight of 410.66 g/mol. Its IUPAC name is diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane.

Molecular Properties

Compound Namediethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane
PubChem CID150689843
Molecular FormulaC17H38O7Si2
Molecular Weight410.66 g/mol
Exact Mass410.22
IUPAC Namediethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane
SMILESCCC[Si](OCC)(OCC)C(OCC1CO1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H38O7Si2/c1-7-13-25(20-8-2,21-9-3)17(19-15-16-14-18-16)26(22-10-4,23-11-5)24-12-6/h16-17H,7-15H2,1-6H3
InChIKeyJJQMBBQCYXDSFC-UHFFFAOYSA-N
XLogP2.82
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.66
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87862101
butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87929298
diethoxy-(oxiran-2-ylmethoxymethyl)-propylsilane
CID 175268812
triethyl 1-(oxiran-2-ylmethoxy)propyl silicate
CID 87343649
diethoxy-methyl-[(1S)-1-(oxiran-2-ylmethoxy)-1-silylpropan-2-yl]silane
CID 175014951
1-(oxiran-2-ylmethoxy)propoxy-dipropoxy-propylsilane
CID 140681114
diethoxy(dimethyl)silane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158655964
hydroxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 173054354
diethoxy-ethyl-[2-(oxiran-2-ylmethoxy)ethyl]silane
CID 21432048
methyl-[1-(oxiran-2-ylmethoxy)ethyl]-dipropoxysilane
CID 54021833
2-(1-iodoethoxymethyl)oxirane
CID 89194519
ethoxysilane;triethoxy-[2-(oxiran-2-ylmethoxy)propyl]silane
CID 160854237

Frequently Asked Questions

What is the IUPAC name of diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane?
The IUPAC name of diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane (CID 150689843) is diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane.
What is the SMILES notation for diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane?
The canonical SMILES for diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane is CCC[Si](OCC)(OCC)C(OCC1CO1)[Si](OCC)(OCC)OCC.
What is the InChIKey of diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane?
The InChIKey is JJQMBBQCYXDSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O7Si2/c1-7-13-25(20-8-2,21-9-3)17(19-15-16-14-18-16)26(22-10-4,23-11-5)24-12-6/h16-17H,7-15H2,1-6H3.
What are the key properties of diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane?
diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane has a molecular weight of 410.66 g/mol, XLogP of 2.82, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane is sourced from PubChem (CID 150689843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).