Basic information
- CAS
89182-68-3- Standard SMILES
CC(=O)OCC(C)CCC(C)COC(C)=O- InChIKey
YQQPADUOKRFGKM-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- 2,5-Dimethylhexane-1,6-diyl diacetate
- IUPAC
- (6-acetyloxy-2,5-dimethylhexyl) acetate
- English name
- 2,5-Dimethyl-1,6-hexanediol diacetate
- Molecular formula
- C12H22O4
- Molecular weight
- 230.3
Names & synonyms
2,5-dimethylhexane-1,6-diyl diacetate89182-68-3DTXSID30294652RefChem:247624DTXCID402457912,5-DIMETHYL-1,6-HEXANEDIOL DIACETATENSC97568SCHEMBL22689608NSC-97568AKOS024332506YQQPADUOKRFGKM-UHFFFAOYSA-N1,6-Hexanediol, 2,5-dimethyl-, 1,6-diacetate
Database identifiers
- CAS
89182-68-3- PubChem CID
- 263194
- DTXSID
DTXSID30294652
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 73 · 73-74 °C(Press: 0.1 Torr)
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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