Basic information
- CAS
85554-68-3- Standard SMILES
CCCCCC(C)(O)CC(=O)OCC- InChIKey
LCKZWDMZQOHLGB-UHFFFAOYSA-N- Molecular formula
- C11H22O3
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.15689456
Names & identifiers
- Preferred name
- Ethyl 3-hydroxy-3-methyloctanoate
- IUPAC
- ethyl 3-hydroxy-3-methyloctanoate
- English name
- ethyl 3-hydroxy-3-methyloctanoate
- Molecular formula
- C11H22O3
- Molecular weight
- 202.29058
Names & synonyms
Ethyl 3-hydroxy-3-methyloctanoate85554-68-3EINECS 287-600-8DTXSID601006110RefChem:138696DTXCID401432985287-600-8ETHYL 3-HYDROXY-3-METHYL-OCTANOATESCHEMBL959455AKOS017550172DB-166691NS00064937
Show more names
3-Hydroxy-3-methyloctanoic acid ethyl ester
4,5-dichloro-2-(cyclohexylamino)benzenesulfonamide1204574-08-2
Database identifiers
- CAS
85554-68-3- PubChem CID
- 3020787
- DTXSID
DTXSID601006110- EC Number
- 287-600-8
- Nikkaji
- J310.674H
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 168
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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