triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane

C21H46O10Si2 — CID 87862101

IUPACtriethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCC(OCC1CO1)[Si](OC)(OC)OC.CCO[Si](OCC)(OCC)C(CC)OCC1CO1
InChIInChI=1S/C12H26O5Si.C9H20O5Si/c1-5-12(14-10-11-9-13-11)18(15-6-2,16-7-3)17-8-4;1-5-9(14-7-8-6-13-8)15(10-2,11-3)12-4/h11-12H,5-10H2,1-4H3;8-9H,5-7H2,1-4H3
InChIKeyDJEIZZGRNKIYPF-UHFFFAOYSA-N
MW514.76 g/mol
LogP2.37
Rot. Bonds19

About triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane

triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 87862101) has the molecular formula C21H46O10Si2 and a molecular weight of 514.76 g/mol. Its IUPAC name is triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID87862101
Molecular FormulaC21H46O10Si2
Molecular Weight514.76 g/mol
Exact Mass514.26
IUPAC Nametriethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCC(OCC1CO1)[Si](OC)(OC)OC.CCO[Si](OCC)(OCC)C(CC)OCC1CO1
InChIInChI=1S/C12H26O5Si.C9H20O5Si/c1-5-12(14-10-11-9-13-11)18(15-6-2,16-7-3)17-8-4;1-5-9(14-7-8-6-13-8)15(10-2,11-3)12-4/h11-12H,5-10H2,1-4H3;8-9H,5-7H2,1-4H3
InChIKeyDJEIZZGRNKIYPF-UHFFFAOYSA-N
XLogP2.37
TPSA98.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.76
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane with MolForge

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

Launch Full Analysis

Related Compounds

lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 174857617
CID 18963637
CID 18963637
diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 173350815
triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane
CID 175078936
triethoxy-[1-[(3-ethyloxetan-2-yl)methoxy]propyl]silane
CID 66790517
diethoxy-[oxiran-2-ylmethoxy(triethoxysilyl)methyl]-propylsilane
CID 150689843
butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87929298
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631
diethoxy-methyl-[(1S)-1-(oxiran-2-ylmethoxy)-1-silylpropan-2-yl]silane
CID 175014951
triethyl 1-(oxiran-2-ylmethoxy)propyl silicate
CID 87343649
trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane
CID 89312307
1-[diethoxy(methyl)silyl]propan-1-ol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174766123

Frequently Asked Questions

What is the IUPAC name of triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane (CID 87862101) is triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane is CCC(OCC1CO1)[Si](OC)(OC)OC.CCO[Si](OCC)(OCC)C(CC)OCC1CO1.
What is the InChIKey of triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is DJEIZZGRNKIYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si.C9H20O5Si/c1-5-12(14-10-11-9-13-11)18(15-6-2,16-7-3)17-8-4;1-5-9(14-7-8-6-13-8)15(10-2,11-3)12-4/h11-12H,5-10H2,1-4H3;8-9H,5-7H2,1-4H3.
What are the key properties of triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane?
triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 514.76 g/mol, XLogP of 2.37, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 87862101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).