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

C16H46O8Si8 — CID 18967227

IUPAC2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC([Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C16H46O8Si8/c1-16(31(14)21-27(6,7)17-25(2,3)18-28(8,9)22-31)32(15)23-29(10,11)19-26(4,5)20-30(12,13)24-32/h16H,1-15H3
InChIKeyGICXPDMORPBXDD-UHFFFAOYSA-N
MW591.22 g/mol
LogP5.43
Rot. Bonds2

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

2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 18967227) has the molecular formula C16H46O8Si8 and a molecular weight of 591.22 g/mol. Its IUPAC name is 2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID18967227
Molecular FormulaC16H46O8Si8
Molecular Weight591.22 g/mol
Exact Mass590.13
IUPAC Name2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC([Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C16H46O8Si8/c1-16(31(14)21-27(6,7)17-25(2,3)18-28(8,9)22-31)32(15)23-29(10,11)19-26(4,5)20-30(12,13)24-32/h16H,1-15H3
InChIKeyGICXPDMORPBXDD-UHFFFAOYSA-N
XLogP5.43
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.22
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 18967227) is 2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CC([Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is GICXPDMORPBXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H46O8Si8/c1-16(31(14)21-27(6,7)17-25(2,3)18-28(8,9)22-31)32(15)23-29(10,11)19-26(4,5)20-30(12,13)24-32/h16H,1-15H3.
What are the key properties of 2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 591.22 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 18967227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).