Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
Basic information
- CAS
13747-72-3- Standard SMILES
CCOC(=O)C1CCCCC12OCCO2- InChIKey
QMFOXYVOKMOHCN-UHFFFAOYSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.12050905
Names & identifiers
- Preferred name
- Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
- IUPAC
- ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
- English name
- ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
- Molecular formula
- C11H18O4
- Molecular weight
- 214.26
Names & synonyms
Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate13747-72-31,4-Dioxaspiro[4.5]decane-6-carboxylic acid, ethyl esterNSC348922ethyl 1,4-dioxa-spiro[4,5]decane-6-carboxylateSCHEMBL727442DTXSID40319643NSC-348922DA-45537Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate #ETHYL 1,4-DIOXASPIRO[4.5]DECANE-6-CARBOXYLATE(WXG01206)
Database identifiers
- CAS
13747-72-3- PubChem CID
- 336004
- DTXSID
DTXSID40319643
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 259 · 259-261 °C
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
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Related reactions
7 records
Compound notes
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