triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C21H40O8Si2 — CID 87370600

IUPACtriethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccccc1.CO[Si](CCCOCC1CO1)(OC)OC
InChIInChI=1S/C12H20O3Si.C9H20O5Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h7-11H,4-6H2,1-3H3;9H,4-8H2,1-3H3
InChIKeyJPVHAIPWNPQFDD-UHFFFAOYSA-N
MW476.72 g/mol
LogP2.61
Rot. Bonds16

About triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 87370600) has the molecular formula C21H40O8Si2 and a molecular weight of 476.72 g/mol. Its IUPAC name is triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Nametriethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID87370600
Molecular FormulaC21H40O8Si2
Molecular Weight476.72 g/mol
Exact Mass476.23
IUPAC Nametriethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccccc1.CO[Si](CCCOCC1CO1)(OC)OC
InChIInChI=1S/C12H20O3Si.C9H20O5Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h7-11H,4-6H2,1-3H3;9H,4-8H2,1-3H3
InChIKeyJPVHAIPWNPQFDD-UHFFFAOYSA-N
XLogP2.61
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.72
LogP ≤ 52.61
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 triethoxy(phenyl)silane;trimethoxy-[3-(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

diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane
CID 157211120
diethoxy-[2-(oxiran-2-ylmethoxy)ethyl]-phenylsilane
CID 139765334
dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 139765356
ethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 161088311
hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 101402997
dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane
CID 141450490
[dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-[[[dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]oxy-diphenylsilyl]oxy-ethenyl-methoxysilane
CID 58498512
oxiran-2-ylmethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 159211950
diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173170061
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
2-[2-hydroxyethoxy-methoxy-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87722976
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951

Frequently Asked Questions

What is the IUPAC name of triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 87370600) is triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is CCO[Si](OCC)(OCC)c1ccccc1.CO[Si](CCCOCC1CO1)(OC)OC.
What is the InChIKey of triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is JPVHAIPWNPQFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3Si.C9H20O5Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h7-11H,4-6H2,1-3H3;9H,4-8H2,1-3H3.
What are the key properties of triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 476.72 g/mol, XLogP of 2.61, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 87370600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).