2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane

C8H14Cl6O4Sn2 — CID 16685627

IUPAC2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane
SMILESC[Sn]1(C)OC(C(Cl)(Cl)Cl)O[Sn](C)(C)OC(C(Cl)(Cl)Cl)O1
InChIInChI=1S/2C2HCl3O2.4CH3.2Sn/c2*3-2(4,5)1(6)7;;;;;;/h2*1H;4*1H3;;/q2*-2;;;;;2*+2
InChIKeyAJDKTYLMGCHXJR-UHFFFAOYSA-N
MW624.34 g/mol
LogP4.86
Rot. Bonds

About 2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane

2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane (PubChem CID 16685627) has the molecular formula C8H14Cl6O4Sn2 and a molecular weight of 624.34 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane
PubChem CID16685627
Molecular FormulaC8H14Cl6O4Sn2
Molecular Weight624.34 g/mol
Exact Mass623.71
IUPAC Name2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane
SMILESC[Sn]1(C)OC(C(Cl)(Cl)Cl)O[Sn](C)(C)OC(C(Cl)(Cl)Cl)O1
InChIInChI=1S/2C2HCl3O2.4CH3.2Sn/c2*3-2(4,5)1(6)7;;;;;;/h2*1H;4*1H3;;/q2*-2;;;;;2*+2
InChIKeyAJDKTYLMGCHXJR-UHFFFAOYSA-N
XLogP4.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.34
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane?
The IUPAC name of 2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane (CID 16685627) is 2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane.
What is the SMILES notation for 2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane?
The canonical SMILES for 2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane is C[Sn]1(C)OC(C(Cl)(Cl)Cl)O[Sn](C)(C)OC(C(Cl)(Cl)Cl)O1.
What is the InChIKey of 2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane?
The InChIKey is AJDKTYLMGCHXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2HCl3O2.4CH3.2Sn/c2*3-2(4,5)1(6)7;;;;;;/h2*1H;4*1H3;;/q2*-2;;;;;2*+2.
What are the key properties of 2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane?
2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane has a molecular weight of 624.34 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4,8-bis(trichloromethyl)-1,3,5,7,2,6-tetraoxadistannocane is sourced from PubChem (CID 16685627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).