2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C32H72O8Si4 — CID 68657170

IUPAC2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCOC(C)[Si]1(C(C)(C)C)O[Si](C(C)OCC)(C(C)(C)C)O[Si](C(C)OCC)(C(C)(C)C)O[Si](C(C)OCC)(C(C)(C)C)O1
InChIInChI=1S/C32H72O8Si4/c1-21-33-25(5)41(29(9,10)11)37-42(30(12,13)14,26(6)34-22-2)39-44(32(18,19)20,28(8)36-24-4)40-43(38-41,31(15,16)17)27(7)35-23-3/h25-28H,21-24H2,1-20H3
InChIKeyJUZZCLUASDGXQX-UHFFFAOYSA-N
MW697.26 g/mol
LogP8.89
Rot. Bonds12

About 2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 68657170) has the molecular formula C32H72O8Si4 and a molecular weight of 697.26 g/mol. Its IUPAC name is 2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID68657170
Molecular FormulaC32H72O8Si4
Molecular Weight697.26 g/mol
Exact Mass696.43
IUPAC Name2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCOC(C)[Si]1(C(C)(C)C)O[Si](C(C)OCC)(C(C)(C)C)O[Si](C(C)OCC)(C(C)(C)C)O[Si](C(C)OCC)(C(C)(C)C)O1
InChIInChI=1S/C32H72O8Si4/c1-21-33-25(5)41(29(9,10)11)37-42(30(12,13)14,26(6)34-22-2)39-44(32(18,19)20,28(8)36-24-4)40-43(38-41,31(15,16)17)27(7)35-23-3/h25-28H,21-24H2,1-20H3
InChIKeyJUZZCLUASDGXQX-UHFFFAOYSA-N
XLogP8.89
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.26
LogP ≤ 58.89
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 2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 68657170) is 2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCOC(C)[Si]1(C(C)(C)C)O[Si](C(C)OCC)(C(C)(C)C)O[Si](C(C)OCC)(C(C)(C)C)O[Si](C(C)OCC)(C(C)(C)C)O1.
What is the InChIKey of 2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is JUZZCLUASDGXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H72O8Si4/c1-21-33-25(5)41(29(9,10)11)37-42(30(12,13)14,26(6)34-22-2)39-44(32(18,19)20,28(8)36-24-4)40-43(38-41,31(15,16)17)27(7)35-23-3/h25-28H,21-24H2,1-20H3.
What are the key properties of 2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 697.26 g/mol, XLogP of 8.89, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetratert-butyl-2,4,6,8-tetrakis(1-ethoxyethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 68657170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).