triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

C20H44O7Si2 — CID 175326463

IUPACtriethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCCC[Si](OCC)(OCC)OCC.CO[Si](CCC1CCC2OC2C1)(OC)OC
InChIInChI=1S/C11H22O4Si.C9H22O3Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10;1-5-9-13(10-6-2,11-7-3)12-8-4/h9-11H,4-8H2,1-3H3;5-9H2,1-4H3
InChIKeyZFVRBDALVXLSOQ-UHFFFAOYSA-N
MW452.74 g/mol
LogP4.27
Rot. Bonds14

About triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 175326463) has the molecular formula C20H44O7Si2 and a molecular weight of 452.74 g/mol. Its IUPAC name is triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Nametriethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID175326463
Molecular FormulaC20H44O7Si2
Molecular Weight452.74 g/mol
Exact Mass452.26
IUPAC Nametriethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCCC[Si](OCC)(OCC)OCC.CO[Si](CCC1CCC2OC2C1)(OC)OC
InChIInChI=1S/C11H22O4Si.C9H22O3Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10;1-5-9-13(10-6-2,11-7-3)12-8-4/h9-11H,4-8H2,1-3H3;5-9H2,1-4H3
InChIKeyZFVRBDALVXLSOQ-UHFFFAOYSA-N
XLogP4.27
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.74
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane
CID 59882614
triethoxy-[[ethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]methyl]silane
CID 140798704
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;3-trimethoxysilylpropane-1-thiol
CID 18692870
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
CID 21267597
diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292681
1,2,2-trimethoxyethenylsilane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 159596149
diphenyl(3-triethoxysilylpropyl)phosphane;triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 160966529
[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilane
CID 101151102
CID 20793302
CID 20793302
ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate
CID 87895424
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
CID 160925202

Frequently Asked Questions

What is the IUPAC name of triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 175326463) is triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is CCC[Si](OCC)(OCC)OCC.CO[Si](CCC1CCC2OC2C1)(OC)OC.
What is the InChIKey of triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is ZFVRBDALVXLSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si.C9H22O3Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10;1-5-9-13(10-6-2,11-7-3)12-8-4/h9-11H,4-8H2,1-3H3;5-9H2,1-4H3.
What are the key properties of triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 452.74 g/mol, XLogP of 4.27, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 175326463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).