Basic information
- CAS
1729-68-6- Standard SMILES
CCCCCC(C(=O)OCC)C(C)O- InChIKey
JPYKOYZYBIWOAE-UHFFFAOYSA-N- Molecular formula
- C11H22O3
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.15689456
Names & identifiers
- Preferred name
- Ethyl 2-(1-hydroxyethyl)heptanoate
- IUPAC
- ethyl 2-(1-hydroxyethyl)heptanoate
Names & synonyms
ethyl 2-(1-hydroxyethyl)heptanoate1729-68-6NSC 67906NSC67906DTXSID60290304NSC-67906
Database identifiers
- CAS
1729-68-6- PubChem CID
- 249504
- DTXSID
DTXSID60290304
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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