Basic information
- CAS
5344-04-7- Standard SMILES
CC(=O)OCC1C(C)C=CC(C)C1COC(C)=O- InChIKey
FCIWRRSIXSLTMY-UHFFFAOYSA-N- Molecular formula
- C14H22O4
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.15180918
Names & identifiers
- Preferred name
- (3,6-Dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetate
- IUPAC
- [6-(acetyloxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methyl acetate
Names & synonyms
5344-04-7(3,6-dimethylcyclohex-4-ene-1,2-diyl)dimethanediyl diacetateNSC527DTXSID60277039NSC-5273,2-DIMETHANOL, DIACETATENSC122116NSC-122116(3,6-Dimethylcyclohex-4-ene-1,2-diyl)bis(methylene) diacetate
Database identifiers
- CAS
5344-04-7- PubChem CID
- 219338
- DTXSID
DTXSID60277039
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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