Diethyl 1'H,4'H-dispiro[1,3-dithiolane-2,2'-bicyclo[2.2.2]octane-5',2''-[1,3]dithiolane]-1',4'-dicarboxylate
Basic information
- CAS
1686-98-2- Standard SMILES
CCOC(=O)C12CCC(C(=O)OCC)(CC13SCCS3)C1(C2)SCCS1- InChIKey
YAVIDLZGUYRWJF-UHFFFAOYSA-N- Molecular formula
- C18H26O4S4
- Average molar mass
- 434.7 g/mol
- Monoisotopic mass
- 434.071394
Names & identifiers
- Preferred name
- Diethyl 1'H,4'H-dispiro[1,3-dithiolane-2,2'-bicyclo[2.2.2]octane-5',2''-[1,3]dithiolane]-1',4'-dicarboxylate
- IUPAC
- Diethyl dispiro[[1,3]dithiolane-2,2'-bicyclo[2.2.2]octane-5',2''-[1,3]dithiolane]-1',4'-dicarboxylate
Names & synonyms
1686-98-2CID 329802NSC314554Maybridge1_002489DivK1c_001241HMS548J03DTXSID00317322CCG-41694NSC-314554CDS1_000201Diethyl 1'H,4'H-dispiro[1,3-dithiolane-2,2'-bicyclo[2.2.2]octane-5',2''-[1,3]dithiolane]-1',4'-dicarboxylateSR-01000631751-1
Show more names
Diethyl dispiro[[1,3]dithiolane-2,2'-bicyclo[2.2.2]octane-5',2''-[1,3]dithiolane]-1',4'-dicarboxylate
Database identifiers
- CAS
1686-98-2- PubChem CID
- 329802
- DTXSID
DTXSID00317322
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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