2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C44H96O4Si4 — CID 21296304

IUPAC2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCCCCCCCC[Si]1(CCCCCCCCCC)O[Si](C)(C)O[Si](C)(C)O[Si](CCCCCCCCCC)(CCCCCCCCCC)O1
InChIInChI=1S/C44H96O4Si4/c1-9-13-17-21-25-29-33-37-41-51(42-38-34-30-26-22-18-14-10-2)46-49(5,6)45-50(7,8)47-52(48-51,43-39-35-31-27-23-19-15-11-3)44-40-36-32-28-24-20-16-12-4/h9-44H2,1-8H3
InChIKeyNQQDPMXPNIFGSB-UHFFFAOYSA-N
MW801.59 g/mol
LogP16.92
Rot. Bonds36

About 2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 21296304) has the molecular formula C44H96O4Si4 and a molecular weight of 801.59 g/mol. Its IUPAC name is 2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID21296304
Molecular FormulaC44H96O4Si4
Molecular Weight801.59 g/mol
Exact Mass800.64
IUPAC Name2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCCCCCCCC[Si]1(CCCCCCCCCC)O[Si](C)(C)O[Si](C)(C)O[Si](CCCCCCCCCC)(CCCCCCCCCC)O1
InChIInChI=1S/C44H96O4Si4/c1-9-13-17-21-25-29-33-37-41-51(42-38-34-30-26-22-18-14-10-2)46-49(5,6)45-50(7,8)47-52(48-51,43-39-35-31-27-23-19-15-11-3)44-40-36-32-28-24-20-16-12-4/h9-44H2,1-8H3
InChIKeyNQQDPMXPNIFGSB-UHFFFAOYSA-N
XLogP16.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.59
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 21296304) is 2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCCCCCCCCC[Si]1(CCCCCCCCCC)O[Si](C)(C)O[Si](C)(C)O[Si](CCCCCCCCCC)(CCCCCCCCCC)O1.
What is the InChIKey of 2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is NQQDPMXPNIFGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H96O4Si4/c1-9-13-17-21-25-29-33-37-41-51(42-38-34-30-26-22-18-14-10-2)46-49(5,6)45-50(7,8)47-52(48-51,43-39-35-31-27-23-19-15-11-3)44-40-36-32-28-24-20-16-12-4/h9-44H2,1-8H3.
What are the key properties of 2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 801.59 g/mol, XLogP of 16.92, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrakis-decyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 21296304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).