Basic information
- CAS
56438-07-4- Standard SMILES
CCCCCCCCCCCC(OC(C)=O)OC(C)=O- InChIKey
CSDZNKPPSXTLHK-UHFFFAOYSA-N- Molecular formula
- C16H30O4
- Average molar mass
- 286.41 g/mol
- Monoisotopic mass
- 286.21440943
Names & identifiers
- Preferred name
- 1,1-Dodecanediol, diacetate
- IUPAC
- 1-acetyloxydodecyl acetate
- English name
- 1,1-Diacetoxydodecane
- Molecular formula
- C16H30O4
- Molecular weight
- 286.41
Names & synonyms
1,1-DODECANEDIOL, DIACETATE56438-07-4DTXSID90204994RefChem:71131DTXCID20127485CSDZNKPPSXTLHK-UHFFFAOYSA-N1,1-Diacetoxydodecane1,1-dodecanediol diacetateDodecane-1,1-diyl diacetate1-(Acetyloxy)dodecyl acetate #DB-311320Dodecylidenediacetate
Show more names
1-acetyloxydodecylacetate1,1-Dodecanediol, 1,1-diacetate
Database identifiers
- CAS
56438-07-4- PubChem CID
- 41878
- DTXSID
DTXSID90204994- Nikkaji
- J143.402K
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 356.7 · 356.7±15.0 °C(Predicted)
- Density
- 0.954 · 0.954±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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