Basic information
- CAS
5338-98-7- Standard SMILES
CCC(C)(CC(=O)O)CC(=O)OC- InChIKey
MPZVITRUKTWADX-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Names & identifiers
- Preferred name
- 3-Ethyl-5-methoxy-3-methyl-5-oxopentanoic acid
- IUPAC
- 3-ethyl-5-methoxy-3-methyl-5-oxopentanoic acid
- English name
- 3-ethyl-5-methoxy-3-methyl-5-oxo-pentanoic acid
- Molecular formula
- C9H16O4
- Molecular weight
- 188.22
Names & synonyms
5338-98-73-ethyl-5-methoxy-3-methyl-5-oxopentanoic acidDTXSID10277665RefChem:1067801DTXCID00228823Pentanedioic acid,3-ethyl-3-methyl-, 1-methyl esterNSC3448SCHEMBL9130674NSC-34483-ethyl-5-methoxy-3-methyl-5-oxo-pentanoic acidPentanedioic acid, 3-ethyl-3-methyl-, 1-methyl ester
Database identifiers
- CAS
5338-98-7- PubChem CID
- 220545
- DTXSID
DTXSID10277665
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
- 13
- Formal charge
- 0
- Complexity
- 200
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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