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

C9H30O6Si6 — CID 123172811

IUPAC2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESCC[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](CC)O[SiH](CC)O1
InChIInChI=1S/C9H30O6Si6/c1-7-19-12-17(5)10-16(4)11-18(6)13-20(8-2)15-21(9-3)14-19/h16-21H,7-9H2,1-6H3
InChIKeyTWQGRPMQYWCQKN-UHFFFAOYSA-N
MW402.85 g/mol
LogP0.37
Rot. Bonds3

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

2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (PubChem CID 123172811) has the molecular formula C9H30O6Si6 and a molecular weight of 402.85 g/mol. Its IUPAC name is 2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.

Molecular Properties

Compound Name2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
PubChem CID123172811
Molecular FormulaC9H30O6Si6
Molecular Weight402.85 g/mol
Exact Mass402.07
IUPAC Name2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESCC[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](CC)O[SiH](CC)O1
InChIInChI=1S/C9H30O6Si6/c1-7-19-12-17(5)10-16(4)11-18(6)13-20(8-2)15-21(9-3)14-19/h16-21H,7-9H2,1-6H3
InChIKeyTWQGRPMQYWCQKN-UHFFFAOYSA-N
XLogP0.37
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 50.37
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 2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The IUPAC name of 2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (CID 123172811) is 2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.
What is the SMILES notation for 2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The canonical SMILES for 2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is CC[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](CC)O[SiH](CC)O1.
What is the InChIKey of 2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The InChIKey is TWQGRPMQYWCQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H30O6Si6/c1-7-19-12-17(5)10-16(4)11-18(6)13-20(8-2)15-21(9-3)14-19/h16-21H,7-9H2,1-6H3.
What are the key properties of 2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane has a molecular weight of 402.85 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-8,10,12-trimethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is sourced from PubChem (CID 123172811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).