Heptane-1,2-diyl diacetate
Basic information
- CAS
39846-56-5- Standard SMILES
CCCCCC(COC(C)=O)OC(C)=O- InChIKey
PRVSFXXXZBBTJY-UHFFFAOYSA-N- Molecular formula
- C11H20O4
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.13615911
Names & identifiers
- Preferred name
- Heptane-1,2-diyl diacetate
- IUPAC
- 2-acetyloxyheptyl acetate
- English name
- heptane-1,2-diyl diacetate
- Molecular formula
- C11H20O4
- Molecular weight
- 216.2741
Names & synonyms
Heptane-1,2-diyl diacetate39846-56-5EINECS 254-651-21,2-Heptanediol diacetateSCHEMBL8362346DTXSID60960414PRVSFXXXZBBTJY-UHFFFAOYSA-NNS00057694Diacetic acid 1,2-heptanediyl ester
Database identifiers
- CAS
39846-56-5- PubChem CID
- 13628610
- DTXSID
DTXSID60960414- EC Number
- 254-651-2
- Nikkaji
- J261.457J
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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