Ethyl 3',4',5',6',7',8'-hexahydro-4a'h-spiro[1,3-dithiolane-2,2'-naphthalene]-4a'-carboxylate
Basic information
- CAS
2088-98-4- Standard SMILES
CCOC(=O)C12CCCCC1=CC1(CC2)SCCS1- InChIKey
OXISAMHLDQDOTK-UHFFFAOYSA-N- Molecular formula
- C15H22O2S2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.10612229
Names & identifiers
- Preferred name
- Ethyl 3',4',5',6',7',8'-hexahydro-4a'h-spiro[1,3-dithiolane-2,2'-naphthalene]-4a'-carboxylate
- IUPAC
- ethyl spiro[1,2,3,4,5,6-hexahydronaphthalene-7,2'-1,3-dithiolane]-4a-carboxylate
Names & synonyms
2088-98-4ethyl 3',4',5',6',7',8'-hexahydro-4a'h-spiro[1,3-dithiolane-2,2'-naphthalene]-4a'-carboxylateNSC148965DTXSID20302134NSC-148965Ethyl 3',4',5',6',7',8'-hexahydro-4'aH-spiro[[1,3]dithiolane-2,2'-naphthalene]-4'a-carboxylate
Database identifiers
- CAS
2088-98-4- PubChem CID
- 288223
- DTXSID
DTXSID20302134
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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