Ethyl 3-(acetyloxy)octanoate
Basic information
- CAS
85554-66-1- Standard SMILES
CCCCCC(CC(=O)OCC)OC(C)=O- InChIKey
AYGKSMFCRAQKPK-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Overview
See also: Ethyl 3-acetoxy octanoate (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl 3-(acetyloxy)octanoate
- IUPAC
- ethyl 3-acetyloxyoctanoate
- English name
- ethyl 3-(acetoxy)octanoate
- Molecular formula
- C12H22O4
- Molecular weight
- 230.3
Names & synonyms
ETHYL 3-(ACETYLOXY)OCTANOATEDTXSID90868914RefChem:594705DTXCID60816967ethyl 3-acetoxyoctanoate85554-66-1Ethyl 3-(acetoxy)octanoateEINECS 287-598-9ethyl 3-acetyloxyoctanoateethyl3-acetoxyoctanoateNMN3E8X8VLNS00064936
Show more names
3-(Acetyloxy)octanoic acid ethyl ester
Octanoic acid, 3-(acetyloxy)-, ethyl ester
Database identifiers
- CAS
85554-66-1- PubChem CID
- 529296
- DTXSID
DTXSID90868914- UNII
- NMN3E8X8VL
- EC Number
- 287-598-9
- Nikkaji
- J310.672A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- FLAVIS Number
- 9.862 · 09.862 | Ethyl 3-acetoxy octanoate
- LogP
- 3.095 · 3.095 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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