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

C52H112O4Si4 — CID 21296303

IUPAC2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCCCCCCCCCC[Si]1(CCCCCCCCCCCC)O[Si](C)(C)O[Si](C)(C)O[Si](CCCCCCCCCCCC)(CCCCCCCCCCCC)O1
InChIInChI=1S/C52H112O4Si4/c1-9-13-17-21-25-29-33-37-41-45-49-59(50-46-42-38-34-30-26-22-18-14-10-2)54-57(5,6)53-58(7,8)55-60(56-59,51-47-43-39-35-31-27-23-19-15-11-3)52-48-44-40-36-32-28-24-20-16-12-4/h9-52H2,1-8H3
InChIKeyPGIXVDFRTQAFRY-UHFFFAOYSA-N
MW913.81 g/mol
LogP20.04
Rot. Bonds44

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

2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 21296303) has the molecular formula C52H112O4Si4 and a molecular weight of 913.81 g/mol. Its IUPAC name is 2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID21296303
Molecular FormulaC52H112O4Si4
Molecular Weight913.81 g/mol
Exact Mass912.76
IUPAC Name2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCCCCCCCCCC[Si]1(CCCCCCCCCCCC)O[Si](C)(C)O[Si](C)(C)O[Si](CCCCCCCCCCCC)(CCCCCCCCCCCC)O1
InChIInChI=1S/C52H112O4Si4/c1-9-13-17-21-25-29-33-37-41-45-49-59(50-46-42-38-34-30-26-22-18-14-10-2)54-57(5,6)53-58(7,8)55-60(56-59,51-47-43-39-35-31-27-23-19-15-11-3)52-48-44-40-36-32-28-24-20-16-12-4/h9-52H2,1-8H3
InChIKeyPGIXVDFRTQAFRY-UHFFFAOYSA-N
XLogP20.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds44
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.81
LogP ≤ 520.04
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-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 21296303) is 2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCCCCCCCCCCC[Si]1(CCCCCCCCCCCC)O[Si](C)(C)O[Si](C)(C)O[Si](CCCCCCCCCCCC)(CCCCCCCCCCCC)O1.
What is the InChIKey of 2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is PGIXVDFRTQAFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H112O4Si4/c1-9-13-17-21-25-29-33-37-41-45-49-59(50-46-42-38-34-30-26-22-18-14-10-2)54-57(5,6)53-58(7,8)55-60(56-59,51-47-43-39-35-31-27-23-19-15-11-3)52-48-44-40-36-32-28-24-20-16-12-4/h9-52H2,1-8H3.
What are the key properties of 2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 913.81 g/mol, XLogP of 20.04, 44 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetradodecyl-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 21296303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).