Basic information
- Standard SMILES
CC(C)C(=O)C(C)(C)C(=O)OCCO- InChIKey
NARNUWZBBOTQQX-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxyethyl 2,2,4-trimethyl-3-oxopentanoate
- IUPAC
- 2-hydroxyethyl 2,2,4-trimethyl-3-oxopentanoate
Names & synonyms
2-hydroxyethyl 2,2,4-trimethyl-3-oxopentanoateEthylene glycol mono-2,2,4-trimethyl-3-oxovalerateSCHEMBL9931940NARNUWZBBOTQQX-UHFFFAOYSA-N2-hydroxyethyl-2,2,4-trimethyl-3-oxopentanoate
Database identifiers
- PubChem CID
- 518374
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Related reactions
1 records
Compound notes
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