2-(Ethoxycarbonyl)hexanoic acid
Basic information
- Standard SMILES
CCCCC(C(=O)O)C(=O)OCC- InChIKey
IGGGSAHINVSGTM-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
Names & identifiers
- Preferred name
- 2-(Ethoxycarbonyl)hexanoic acid
- IUPAC
- 2-ethoxycarbonylhexanoic acid
Names & synonyms
2-(Ethoxycarbonyl)hexanoic acid2985-32-2SCHEMBL12927302-(Ethoxycarbonyl)hexanoic acid #Malonic acid, butyl-, monoethyl ester2-butyl-propanedioic acid monoethyl esterDB-163406
Database identifiers
- PubChem CID
- 583277
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…