Basic information
- CAS
5333-63-1- Standard SMILES
CCCC(=O)OCC(C)(C)COC(=O)CCC- InChIKey
XLEBGGMRMNRYRT-UHFFFAOYSA-N- Molecular formula
- C13H24O4
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.16745924
Names & identifiers
- Preferred name
- 2,2-Dimethylpropane-1,3-diyl dibutanoate
- IUPAC
- (3-butanoyloxy-2,2-dimethylpropyl) butanoate
Names & synonyms
5333-63-12,2-dimethylpropane-1,3-diyl dibutanoateNSC2435SCHEMBL89216972,3-DIOL, DIBUTANOATEDTXSID90967936XLEBGGMRMNRYRT-UHFFFAOYSA-NNSC-2435NS00045455
Database identifiers
- CAS
5333-63-1- PubChem CID
- 220138
- DTXSID
DTXSID90967936- EC Number
- 226-245-5
- Nikkaji
- J298.017G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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