Basic information
- CAS
91158-09-7- Standard SMILES
COC(=O)C=C1CCC(=CC(=O)OC)CC1- InChIKey
GSHRQCJRTDFSDE-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- Acetic acid, 2,2'-(1,4-cyclohexanediylidene)bis-, dimethyl ester
- IUPAC
- methyl 2-[4-(2-methoxy-2-oxoethylidene)cyclohexylidene]acetate
Names & synonyms
91158-09-7Acetic acid, 2,2'-(1,4-cyclohexanediylidene)bis-, dimethyl esterDIMETHYL 2,2'-(CYCLOHEXANE-1,4-DIYLIDENE)DIACETATEDTXSID80469818G80240Dimethyl (2E,2'E)-2,2'-(cyclohexane-1,4-diylidene)diacetate
Database identifiers
- CAS
91158-09-7- PubChem CID
- 11637166
- DTXSID
DTXSID80469818- Nikkaji
- J1.579.662F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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