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

C19H42O8Si2 — CID 159317062

IUPACtetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCCO[Si](OCC)(OCC)OCC.CO[Si](CCC1CCC2OC2C1)(OC)OC
InChIInChI=1S/C11H22O4Si.C8H20O4Si/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;5-8H2,1-4H3
InChIKeyLDGSPFVNJAQTDO-UHFFFAOYSA-N
MW454.71 g/mol
LogP3.39
Rot. Bonds14

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

tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 159317062) has the molecular formula C19H42O8Si2 and a molecular weight of 454.71 g/mol. Its IUPAC name is tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Nametetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID159317062
Molecular FormulaC19H42O8Si2
Molecular Weight454.71 g/mol
Exact Mass454.24
IUPAC Nametetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCCO[Si](OCC)(OCC)OCC.CO[Si](CCC1CCC2OC2C1)(OC)OC
InChIInChI=1S/C11H22O4Si.C8H20O4Si/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;5-8H2,1-4H3
InChIKeyLDGSPFVNJAQTDO-UHFFFAOYSA-N
XLogP3.39
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 159317062) is tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is CCO[Si](OCC)(OCC)OCC.CO[Si](CCC1CCC2OC2C1)(OC)OC.
What is the InChIKey of tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is LDGSPFVNJAQTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si.C8H20O4Si/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;5-8H2,1-4H3.
What are the key properties of tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 454.71 g/mol, XLogP of 3.39, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl silicate;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 159317062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).