2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C14H42O9Si8 — CID 553165

IUPAC2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1
InChIInChI=1S/C14H42O9Si8/c1-24(2)15-26(5,6)19-30(13,20-27(7,8)16-24)23-31(14)21-28(9,10)17-25(3,4)18-29(11,12)22-31/h1-14H3
InChIKeyACXPQOLKNXDTNE-UHFFFAOYSA-N
MW579.17 g/mol
LogP4.51
Rot. Bonds2

About 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 553165) has the molecular formula C14H42O9Si8 and a molecular weight of 579.17 g/mol. Its IUPAC name is 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID553165
Molecular FormulaC14H42O9Si8
Molecular Weight579.17 g/mol
Exact Mass578.10
IUPAC Name2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1
InChIInChI=1S/C14H42O9Si8/c1-24(2)15-26(5,6)19-30(13,20-27(7,8)16-24)23-31(14)21-28(9,10)17-25(3,4)18-29(11,12)22-31/h1-14H3
InChIKeyACXPQOLKNXDTNE-UHFFFAOYSA-N
XLogP4.51
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.17
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 553165) is 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1.
What is the InChIKey of 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is ACXPQOLKNXDTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H42O9Si8/c1-24(2)15-26(5,6)19-30(13,20-27(7,8)16-24)23-31(14)21-28(9,10)17-25(3,4)18-29(11,12)22-31/h1-14H3.
What are the key properties of 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 579.17 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 553165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).