2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

C12H36O6Si6 — CID 123843345

IUPAC2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESCC[Si]1(CC)O[SiH2]O[SiH2]O[SiH2]O[Si](CC)(CC)O[Si](CC)(CC)O1
InChIInChI=1S/C12H36O6Si6/c1-7-22(8-2)15-20-13-19-14-21-16-23(9-3,10-4)18-24(11-5,12-6)17-22/h7-12,19-21H2,1-6H3
InChIKeyBORBVAQCZFAQNE-UHFFFAOYSA-N
MW444.93 g/mol
LogP1.54
Rot. Bonds6

About 2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (PubChem CID 123843345) has the molecular formula C12H36O6Si6 and a molecular weight of 444.93 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.

Molecular Properties

Compound Name2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
PubChem CID123843345
Molecular FormulaC12H36O6Si6
Molecular Weight444.93 g/mol
Exact Mass444.11
IUPAC Name2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESCC[Si]1(CC)O[SiH2]O[SiH2]O[SiH2]O[Si](CC)(CC)O[Si](CC)(CC)O1
InChIInChI=1S/C12H36O6Si6/c1-7-22(8-2)15-20-13-19-14-21-16-23(9-3,10-4)18-24(11-5,12-6)17-22/h7-12,19-21H2,1-6H3
InChIKeyBORBVAQCZFAQNE-UHFFFAOYSA-N
XLogP1.54
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.93
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The IUPAC name of 2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (CID 123843345) is 2,2,4,4,6,6-hexaethyl-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-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The canonical SMILES for 2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is CC[Si]1(CC)O[SiH2]O[SiH2]O[SiH2]O[Si](CC)(CC)O[Si](CC)(CC)O1.
What is the InChIKey of 2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The InChIKey is BORBVAQCZFAQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H36O6Si6/c1-7-22(8-2)15-20-13-19-14-21-16-23(9-3,10-4)18-24(11-5,12-6)17-22/h7-12,19-21H2,1-6H3.
What are the key properties of 2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
2,2,4,4,6,6-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane has a molecular weight of 444.93 g/mol, XLogP of 1.54, 6 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-hexaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is sourced from PubChem (CID 123843345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).