benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane

C22H42O6Si2 — CID 173125357

IUPACbenzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane
SMILESCCO[SiH](CCCCOCC1CO1)OCC.CCO[SiH](Cc1ccccc1)OCC
InChIInChI=1S/C11H24O4Si.C11H18O2Si/c1-3-14-16(15-4-2)8-6-5-7-12-9-11-10-13-11;1-3-12-14(13-4-2)10-11-8-6-5-7-9-11/h11,16H,3-10H2,1-2H3;5-9,14H,3-4,10H2,1-2H3
InChIKeyNQQJSIZYQBORDG-UHFFFAOYSA-N
MW458.74 g/mol
LogP3.54
Rot. Bonds17

About benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane

benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane (PubChem CID 173125357) has the molecular formula C22H42O6Si2 and a molecular weight of 458.74 g/mol. Its IUPAC name is benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane.

Molecular Properties

Compound Namebenzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane
PubChem CID173125357
Molecular FormulaC22H42O6Si2
Molecular Weight458.74 g/mol
Exact Mass458.25
IUPAC Namebenzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane
SMILESCCO[SiH](CCCCOCC1CO1)OCC.CCO[SiH](Cc1ccccc1)OCC
InChIInChI=1S/C11H24O4Si.C11H18O2Si/c1-3-14-16(15-4-2)8-6-5-7-12-9-11-10-13-11;1-3-12-14(13-4-2)10-11-8-6-5-7-9-11/h11,16H,3-10H2,1-2H3;5-9,14H,3-4,10H2,1-2H3
InChIKeyNQQJSIZYQBORDG-UHFFFAOYSA-N
XLogP3.54
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.74
LogP ≤ 53.54
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173170061
dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane
CID 173197488
diethoxy(3-phenylpropyl)silane
CID 123960403
diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane
CID 157211120
2-(4-trityloxybutoxymethyl)oxirane
CID 19992449
2-(pentoxymethyl)oxirane
CID 160890113
triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87370600
2-[3-(4-propylphenyl)propoxymethyl]oxirane
CID 160627488
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[6-(4-phenylphenoxy)hexoxymethyl]oxirane
CID 100977910

Frequently Asked Questions

What is the IUPAC name of benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane?
The IUPAC name of benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane (CID 173125357) is benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane.
What is the SMILES notation for benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane?
The canonical SMILES for benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane is CCO[SiH](CCCCOCC1CO1)OCC.CCO[SiH](Cc1ccccc1)OCC.
What is the InChIKey of benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane?
The InChIKey is NQQJSIZYQBORDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si.C11H18O2Si/c1-3-14-16(15-4-2)8-6-5-7-12-9-11-10-13-11;1-3-12-14(13-4-2)10-11-8-6-5-7-9-11/h11,16H,3-10H2,1-2H3;5-9,14H,3-4,10H2,1-2H3.
What are the key properties of benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane?
benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane has a molecular weight of 458.74 g/mol, XLogP of 3.54, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane is sourced from PubChem (CID 173125357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).