2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

C16H44O6Si6 — CID 20813318

IUPAC2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESCCC(C)C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C16H44O6Si6/c1-14-16(2)15-28(13)21-26(9,10)19-24(5,6)17-23(3,4)18-25(7,8)20-27(11,12)22-28/h16H,14-15H2,1-13H3
InChIKeyHXHKACZSUHTOSG-UHFFFAOYSA-N
MW501.04 g/mol
LogP5.73
Rot. Bonds3

About 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (PubChem CID 20813318) has the molecular formula C16H44O6Si6 and a molecular weight of 501.04 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
PubChem CID20813318
Molecular FormulaC16H44O6Si6
Molecular Weight501.04 g/mol
Exact Mass500.18
IUPAC Name2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESCCC(C)C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C16H44O6Si6/c1-14-16(2)15-28(13)21-26(9,10)19-24(5,6)17-23(3,4)18-25(7,8)20-27(11,12)22-28/h16H,14-15H2,1-13H3
InChIKeyHXHKACZSUHTOSG-UHFFFAOYSA-N
XLogP5.73
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.04
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (CID 20813318) is 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is CCC(C)C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The InChIKey is HXHKACZSUHTOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H44O6Si6/c1-14-16(2)15-28(13)21-26(9,10)19-24(5,6)17-23(3,4)18-25(7,8)20-27(11,12)22-28/h16H,14-15H2,1-13H3.
What are the key properties of 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane has a molecular weight of 501.04 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10,12-undecamethyl-12-(2-methylbutyl)-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is sourced from PubChem (CID 20813318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).