2H-Pyran, 2,2'-[thiobis[(2,2-dimethyl-6,1-hexanediyl)oxy]]bis[tetrahydro-

HCID 10072886CAS 412937-68-9
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Basic information

Standard SMILES
CC(C)(CCCCSCCCCC(C)(C)COC1CCCCO1)COC1CCCCO1
InChIKey
VRSUAEIFUULQBH-UHFFFAOYSA-N
Molecular formula
C26H50O4S
Average molar mass
458.7 g/mol
Monoisotopic mass
458.34298125

Names & identifiers

Preferred name
2H-Pyran, 2,2'-[thiobis[(2,2-dimethyl-6,1-hexanediyl)oxy]]bis[tetrahydro-
IUPAC
2-[6-[5,5-dimethyl-6-(oxan-2-yloxy)hexyl]sulfanyl-2,2-dimethylhexoxy]oxane

Names & synonyms

412937-68-92H-Pyran, 2,2'-[thiobis[(2,2-dimethyl-6,1-hexanediyl)oxy]]bis[tetrahydro-SCHEMBL5524957DTXSID40435175VRSUAEIFUULQBH-UHFFFAOYSA-Nbis-(5,5-dimethyl-6-tetrahydropyranyloxy-hexyl)-sulfide2,2'-{Sulfanediylbis[(2,2-dimethylhexane-6,1-diyl)oxy]}bis(oxane)

Database identifiers

CAS
412937-68-9
PubChem CID
10072886
DTXSID
DTXSID40435175

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
62.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
16
Heavy atoms
31

Related reactions

1 records
New reaction record

Linked notes

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