Basic information
- CAS
5333-63-1- Standard SMILES
CCCC(=O)OCCCOC(=O)C(C)(C)CC- InChIKey
JOGDMXANTFINBV-UHFFFAOYSA-N- Molecular formula
- C13H24O4
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.16745924
Names & identifiers
- Preferred name
- Butanoic acid, 2,2-dimethyl-1,3-propanediyl ester
- IUPAC
- 3-butanoyloxypropyl 2,2-dimethylbutanoate
Names & synonyms
AI3-19843SCHEMBL18378177NSC 2435EINECS 226-245-5Butanoic acid, 2,2-dimethyl-1,3-propanediyl ester
Database identifiers
- CAS
5333-63-1- PubChem CID
- 79247
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
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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