diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane

C16H30O4Si2 — CID 157211120

IUPACdiethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane
SMILESCCO[Si](CCCOCC1CO1)(OCC)c1ccccc1.[SiH4]
InChIInChI=1S/C16H26O4Si.H4Si/c1-3-19-21(20-4-2,16-9-6-5-7-10-16)12-8-11-17-13-15-14-18-15;/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3;1H4
InChIKeyARWYNGSNMMKKPE-UHFFFAOYSA-N
MW342.58 g/mol
LogP0.76
Rot. Bonds11

About diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane

diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane (PubChem CID 157211120) has the molecular formula C16H30O4Si2 and a molecular weight of 342.58 g/mol. Its IUPAC name is diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane.

Molecular Properties

Compound Namediethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane
PubChem CID157211120
Molecular FormulaC16H30O4Si2
Molecular Weight342.58 g/mol
Exact Mass342.17
IUPAC Namediethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane
SMILESCCO[Si](CCCOCC1CO1)(OCC)c1ccccc1.[SiH4]
InChIInChI=1S/C16H26O4Si.H4Si/c1-3-19-21(20-4-2,16-9-6-5-7-10-16)12-8-11-17-13-15-14-18-15;/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3;1H4
InChIKeyARWYNGSNMMKKPE-UHFFFAOYSA-N
XLogP0.76
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

diethoxy-[2-(oxiran-2-ylmethoxy)ethyl]-phenylsilane
CID 139765334
dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 139765356
triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87370600
hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 101402997
diethoxy-(9H-fluoren-1-yl)-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 151390772
[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 14419243
diethoxy-phenyl-(3-propoxypropyl)silane
CID 141085456
diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane
CID 156812550
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
1,7-bis[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
CID 162446231
3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 59202490
3-[diethoxy(phenyl)silyl]propane-1-thiol
CID 23341373

Frequently Asked Questions

What is the IUPAC name of diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane?
The IUPAC name of diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane (CID 157211120) is diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane.
What is the SMILES notation for diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane?
The canonical SMILES for diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane is CCO[Si](CCCOCC1CO1)(OCC)c1ccccc1.[SiH4].
What is the InChIKey of diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane?
The InChIKey is ARWYNGSNMMKKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si.H4Si/c1-3-19-21(20-4-2,16-9-6-5-7-10-16)12-8-11-17-13-15-14-18-15;/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3;1H4.
What are the key properties of diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane?
diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane has a molecular weight of 342.58 g/mol, XLogP of 0.76, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane is sourced from PubChem (CID 157211120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).