2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C32H72O4Si4 — CID 19781220

IUPAC2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCC[Si]1(CCCC)O[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)O1
InChIInChI=1S/C32H72O4Si4/c1-9-17-25-37(26-18-10-2)33-38(27-19-11-3,28-20-12-4)35-40(31-23-15-7,32-24-16-8)36-39(34-37,29-21-13-5)30-22-14-6/h9-32H2,1-8H3
InChIKeyLKIXPQWNKLANRV-UHFFFAOYSA-N
MW633.27 g/mol
LogP12.24
Rot. Bonds24

About 2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 19781220) has the molecular formula C32H72O4Si4 and a molecular weight of 633.27 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID19781220
Molecular FormulaC32H72O4Si4
Molecular Weight633.27 g/mol
Exact Mass632.45
IUPAC Name2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCC[Si]1(CCCC)O[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)O1
InChIInChI=1S/C32H72O4Si4/c1-9-17-25-37(26-18-10-2)33-38(27-19-11-3,28-20-12-4)35-40(31-23-15-7,32-24-16-8)36-39(34-37,29-21-13-5)30-22-14-6/h9-32H2,1-8H3
InChIKeyLKIXPQWNKLANRV-UHFFFAOYSA-N
XLogP12.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.27
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 19781220) is 2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCCC[Si]1(CCCC)O[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is LKIXPQWNKLANRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H72O4Si4/c1-9-17-25-37(26-18-10-2)33-38(27-19-11-3,28-20-12-4)35-40(31-23-15-7,32-24-16-8)36-39(34-37,29-21-13-5)30-22-14-6/h9-32H2,1-8H3.
What are the key properties of 2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 633.27 g/mol, XLogP of 12.24, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8-octabutyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 19781220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).