1-Butanoyloxypropyl butanoate
Basic information
- CAS
5323-76-2- Standard SMILES
CCCC(=O)OC(CC)OC(=O)CCC- InChIKey
BPGQBXWSUSDSQY-UHFFFAOYSA-N- Molecular formula
- C11H20O4
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.13615911
Names & identifiers
- Preferred name
- 1-Butanoyloxypropyl butanoate
- IUPAC
- 1-butanoyloxypropyl butanoate
Names & synonyms
5323-76-21-butanoyloxypropyl butanoatepropane-1,1-diyl dibutanoateNSC2810propanediol dibutyrate1,1-Propanediol, dibutyrateSCHEMBL5930621NIOSH/TY5040000Butyric acid, propylidene diesterDTXSID10277549NSC-28101,1-BIS(BUTANOYLOXY)PROPANE
Show more names
TY50400000
Database identifiers
- CAS
5323-76-2- PubChem CID
- 220288
- DTXSID
DTXSID10277549
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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