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

C31H70O4Si4 — CID 58021544

IUPAC2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCCCCCC[Si]1(C)O[Si](C)(CCC)O[Si](C)(CCCCCCCC)O[Si](C)(CCCCCCCC)O1
InChIInChI=1S/C31H70O4Si4/c1-9-13-16-19-22-25-29-37(6)32-36(5,28-12-4)33-38(7,30-26-23-20-17-14-10-2)35-39(8,34-37)31-27-24-21-18-15-11-3/h9-31H2,1-8H3
InChIKeyDPHJRWYUQSSGDX-UHFFFAOYSA-N
MW619.24 g/mol
LogP11.85
Rot. Bonds23

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

2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 58021544) has the molecular formula C31H70O4Si4 and a molecular weight of 619.24 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID58021544
Molecular FormulaC31H70O4Si4
Molecular Weight619.24 g/mol
Exact Mass618.44
IUPAC Name2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCCCCCC[Si]1(C)O[Si](C)(CCC)O[Si](C)(CCCCCCCC)O[Si](C)(CCCCCCCC)O1
InChIInChI=1S/C31H70O4Si4/c1-9-13-16-19-22-25-29-37(6)32-36(5,28-12-4)33-38(7,30-26-23-20-17-14-10-2)35-39(8,34-37)31-27-24-21-18-15-11-3/h9-31H2,1-8H3
InChIKeyDPHJRWYUQSSGDX-UHFFFAOYSA-N
XLogP11.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.24
LogP ≤ 511.85
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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Related Compounds

2,4,6,8-tetramethyl-2,4,6,8-tetrapentyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 142697059
3-methyl-3-undecyldioxasilirane
CID 175063520
2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane
CID 158551467
2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 20691840
2,4,6,8-tetramethyl-2,4,6-tris[3-(oxiran-2-ylmethoxy)propyl]-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 140764013
CID 161246447
CID 161246447
CID 22084408
CID 22084408
triacontane
CID 12535
dictane
CID 19848341
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 58021544) is 2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCCCCCCC[Si]1(C)O[Si](C)(CCC)O[Si](C)(CCCCCCCC)O[Si](C)(CCCCCCCC)O1.
What is the InChIKey of 2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is DPHJRWYUQSSGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H70O4Si4/c1-9-13-16-19-22-25-29-37(6)32-36(5,28-12-4)33-38(7,30-26-23-20-17-14-10-2)35-39(8,34-37)31-27-24-21-18-15-11-3/h9-31H2,1-8H3.
What are the key properties of 2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 619.24 g/mol, XLogP of 11.85, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 58021544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).