silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane

C12H30O6Si2 — CID 173126681

IUPACsilane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane
SMILESCCO[Si](CCCOOCC1CO1)(OCC)OCC.[SiH4]
InChIInChI=1S/C12H26O6Si.H4Si/c1-4-16-19(17-5-2,18-6-3)9-7-8-14-15-11-12-10-13-12;/h12H,4-11H2,1-3H3;1H4
InChIKeyBHEZHUYOMDIEEE-UHFFFAOYSA-N
MW326.54 g/mol
LogP0.32
Rot. Bonds13

About silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane

silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane (PubChem CID 173126681) has the molecular formula C12H30O6Si2 and a molecular weight of 326.54 g/mol. Its IUPAC name is silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane.

Molecular Properties

Compound Namesilane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane
PubChem CID173126681
Molecular FormulaC12H30O6Si2
Molecular Weight326.54 g/mol
Exact Mass326.16
IUPAC Namesilane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane
SMILESCCO[Si](CCCOOCC1CO1)(OCC)OCC.[SiH4]
InChIInChI=1S/C12H26O6Si.H4Si/c1-4-16-19(17-5-2,18-6-3)9-7-8-14-15-11-12-10-13-12;/h12H,4-11H2,1-3H3;1H4
InChIKeyBHEZHUYOMDIEEE-UHFFFAOYSA-N
XLogP0.32
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542
2-(octylperoxymethyl)oxirane
CID 174601201
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631
2-(propylperoxymethyl)oxirane
CID 54276351
2-(ethylperoxymethyl)oxirane
CID 134589509
N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 156771884
triethoxy-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]silane
CID 123674102
triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane
CID 140960756

Frequently Asked Questions

What is the IUPAC name of silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane?
The IUPAC name of silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane (CID 173126681) is silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane.
What is the SMILES notation for silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane?
The canonical SMILES for silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane is CCO[Si](CCCOOCC1CO1)(OCC)OCC.[SiH4].
What is the InChIKey of silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane?
The InChIKey is BHEZHUYOMDIEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6Si.H4Si/c1-4-16-19(17-5-2,18-6-3)9-7-8-14-15-11-12-10-13-12;/h12H,4-11H2,1-3H3;1H4.
What are the key properties of silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane?
silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane has a molecular weight of 326.54 g/mol, XLogP of 0.32, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane is sourced from PubChem (CID 173126681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).