Basic information
- CAS
63512-34-5- Standard SMILES
CC(C)C(=O)OCC(C)(C)COC(=O)C(C)C- InChIKey
HACYJIJMLQDPDS-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 bisisobutyrate
- IUPAC
- [2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
- English name
- 2,2-dimethylpropane-1,3-diyl bisisobutyrate
- Molecular formula
- C13H24O4
- Molecular weight
- 244.33
Names & synonyms
63512-34-52,2-Dimethylpropane-1,3-diyl bisisobutyrateEINECS 264-282-9NSC2316542,2-dimethylpropane-1,3-diyl bis(2-methylpropanoate)SCHEMBL7934757DTXSID80212922HACYJIJMLQDPDS-UHFFFAOYSA-NNSC 231654NSC-231654DB-216605NS00035483
Show more names
2,2-Dimethyl-propandiol-(1,3)-diisobutyratBisisobutyric acid 2,2-dimethyl-1,3-propanediyl esterPropanoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
1,3-Propanediol diisobutyrate, 2,2-dimethyl
Database identifiers
- CAS
63512-34-5- PubChem CID
- 99510
- DTXSID
DTXSID80212922- EC Number
- 264-282-9
- Nikkaji
- J349.247H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 299 · 299.0±13.0 °C(Predicted)
- Density
- 0.973 · 0.973±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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