Basic information
- CAS
60121-04-2- Standard SMILES
CCCCC(CCC(=O)OC)OC(C)=O- InChIKey
USUFETQYKYBUHJ-UHFFFAOYSA-N- Molecular formula
- C11H20O4
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.13615911
Names & identifiers
- Preferred name
- Methyl 4-acetoxyoctanoate
- IUPAC
- methyl 4-acetyloxyoctanoate
Names & synonyms
methyl 4-acetoxyoctanoate60121-04-2DTXSID30335574RefChem:355512DTXCID80286663USUFETQYKYBUHJ-UHFFFAOYSA-Nmethyl4-acetoxyoctanoateMETHYL 4-(ACETYLOXY)OCTANOATE
Database identifiers
- CAS
60121-04-2- PubChem CID
- 526151
- DTXSID
DTXSID30335574
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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