3-Acetoxydodecane
Basic information
- CAS
60826-26-8- Standard SMILES
CCCCCCCCCC(CC)OC(C)=O- InChIKey
UFPTVIVEVKFJOF-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893014
Names & identifiers
- Preferred name
- 3-Acetoxydodecane
- IUPAC
- dodecan-3-yl acetate
- English name
- 3-Acetoxydodecane
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
3-Acetoxydodecane60826-26-8DTXSID20336919RefChem:276154DTXCID40288007UFPTVIVEVKFJOF-UHFFFAOYSA-Ndodecan-3-yl acetate1-Ethyldecyl acetate #ethyl methyl decyl formateSCHEMBL2351955DB-315063odecan-3-ylacetate
Show more names
3-Dodecanol, 3-acetate
Database identifiers
- CAS
60826-26-8- PubChem CID
- 537256
- DTXSID
DTXSID20336919- Nikkaji
- J3.751.856E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 265.4 · 265.4±8.0 °C(Predicted)
- Density
- 0.866 · 0.866±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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