Basic information
- Standard SMILES
CCC1(CCC(=O)OC)CCCCC12OCCO2- InChIKey
QRKBVFCXMJZBPM-UHFFFAOYSA-N- Molecular formula
- C14H24O4
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.16745924
Names & identifiers
- Preferred name
- 6-Ethyl-1,4-dioxaspiro[4.5]decane-6-propionic acid methyl ester
- IUPAC
- methyl 3-(6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl)propanoate
Names & synonyms
SCHEMBL11639535QRKBVFCXMJZBPM-UHFFFAOYSA-N6-ethyl-1,4-dioxaspiro[4.5]decane-6-propionic acid methyl ester
Database identifiers
- PubChem CID
- 54243129
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Related reactions
2 records
Compound notes
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