Basic information
- CAS
14160-65-7- Standard SMILES
CCOC(=O)C1CC2(CCC1=O)OCCO2- InChIKey
RJAGCEMBOHFZMI-UHFFFAOYSA-N- Molecular formula
- C11H16O5
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.09977361
Names & identifiers
- Preferred name
- Ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
- IUPAC
- ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
- English name
- ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
- Molecular formula
- C11H16O5
- Molecular weight
- 228.24
Names & synonyms
Ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate14160-65-78-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylic acid ethyl ester1,4-Dioxaspiro[4.5]decane-7-carboxylic acid, 8-oxo-, ethyl esterMFCD11975611SCHEMBL2995029DTXSID50339897TQP1561AKOS015940311AB65080BS-21450DA-35412
Show more names
2-carboethoxy-4,4-ethylenedioxycyclohexanoneCS-0446220EN300-91475E101282-Ethoxycarbonyl-1,4-cyclohexadione-4-ethylene ketalEthyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate #8-OXO-1,4-DIOXA-SPIRO[4.5]DECANE-7-CARBOXYLIC ACID ETHYL ESTER
Database identifiers
- CAS
14160-65-7- PubChem CID
- 559688
- DTXSID
DTXSID50339897- Nikkaji
- J1.858.816A
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 48 · 48-51 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 114 °C · 114 °C(Press: 0.5 Torr)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 11.66 · 11.66±0.20(Predicted)
Chemistry & industry
Suppliers14 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
上海添泽生物医药有限公司18221530285
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
湖州澄博生物科技有限公司13626726938
上海智乾生物科技有限公司[email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
11 records
Compound notes
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