2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate

C16H44O8Si5 — CID 175547935

IUPAC2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate
SMILESCCO[Si](OCC)(OCC)OCC.C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C8H24O4Si4.C8H20O4Si/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13;1-5-9-13(10-6-2,11-7-3)12-8-4/h1-8H3;5-8H2,1-4H3
InChIKeyXAYBCQMJMQFJCH-UHFFFAOYSA-N
MW504.95 g/mol
LogP4.44
Rot. Bonds8

About 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate

2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate (PubChem CID 175547935) has the molecular formula C16H44O8Si5 and a molecular weight of 504.95 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate
PubChem CID175547935
Molecular FormulaC16H44O8Si5
Molecular Weight504.95 g/mol
Exact Mass504.19
IUPAC Name2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate
SMILESCCO[Si](OCC)(OCC)OCC.C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C8H24O4Si4.C8H20O4Si/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13;1-5-9-13(10-6-2,11-7-3)12-8-4/h1-8H3;5-8H2,1-4H3
InChIKeyXAYBCQMJMQFJCH-UHFFFAOYSA-N
XLogP4.44
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.95
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate?
The IUPAC name of 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate (CID 175547935) is 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate.
What is the SMILES notation for 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate?
The canonical SMILES for 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate is CCO[Si](OCC)(OCC)OCC.C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate?
The InChIKey is XAYBCQMJMQFJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H24O4Si4.C8H20O4Si/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13;1-5-9-13(10-6-2,11-7-3)12-8-4/h1-8H3;5-8H2,1-4H3.
What are the key properties of 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate?
2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate has a molecular weight of 504.95 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;tetraethyl silicate is sourced from PubChem (CID 175547935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).