2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane

C6H18As6O6 — CID 101371655

IUPAC2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane
SMILESC[As]1O[As](C)O[As](C)O[As](C)O[As](C)O[As](C)O1
InChIInChI=1S/C6H18As6O6/c1-7-13-8(2)15-10(4)17-12(6)18-11(5)16-9(3)14-7/h1-6H3
InChIKeyFFKVYFUCDYNLOL-UHFFFAOYSA-N
MW635.74 g/mol
LogP0.81
Rot. Bonds

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

2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane (PubChem CID 101371655) has the molecular formula C6H18As6O6 and a molecular weight of 635.74 g/mol. Its IUPAC name is 2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane.

Molecular Properties

Compound Name2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane
PubChem CID101371655
Molecular FormulaC6H18As6O6
Molecular Weight635.74 g/mol
Exact Mass635.64
IUPAC Name2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane
SMILESC[As]1O[As](C)O[As](C)O[As](C)O[As](C)O[As](C)O1
InChIInChI=1S/C6H18As6O6/c1-7-13-8(2)15-10(4)17-12(6)18-11(5)16-9(3)14-7/h1-6H3
InChIKeyFFKVYFUCDYNLOL-UHFFFAOYSA-N
XLogP0.81
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.74
LogP ≤ 50.81
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 2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane?
The IUPAC name of 2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane (CID 101371655) is 2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane.
What is the SMILES notation for 2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane?
The canonical SMILES for 2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane is C[As]1O[As](C)O[As](C)O[As](C)O[As](C)O[As](C)O1.
What is the InChIKey of 2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane?
The InChIKey is FFKVYFUCDYNLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18As6O6/c1-7-13-8(2)15-10(4)17-12(6)18-11(5)16-9(3)14-7/h1-6H3.
What are the key properties of 2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane?
2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane has a molecular weight of 635.74 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexarsacyclododecane is sourced from PubChem (CID 101371655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).