Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester
Basic information
- CAS
68444-35-9- Standard SMILES
CCCCCCC(=O)OC(C)COCC(C)OC(=O)CCCCCC- InChIKey
ZSLIFBJQSGBWAD-UHFFFAOYSA-N- Molecular formula
- C20H38O5
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.27192431
Names & identifiers
- Preferred name
- Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester
- IUPAC
- 1-(2-heptanoyloxypropoxy)propan-2-yl heptanoate
Names & synonyms
Dipropylene glycol, diheptanoateDipropylene glycol diheptanoateEINECS 270-595-1Heptanoic acid, 2,2'-oxybis(methylethyl) esterHeptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) esterHeptanoic acid, 1,1'-[oxybis(methyl-2,1-ethanediyl)] esterRefChem:14566968444-35-92,2'-Oxybis(methylethyl) bisheptanoateNS00062848
Database identifiers
- CAS
68444-35-9- PubChem CID
- 3034845
- EC Number
- 270-595-1
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 311
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptanoic acid, 1,1'-[oxybis(methyl-2,1-ethanediyl)] ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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