1-(1,4-Dioxaspiro[4.5]dec-6-yl)propan-2-yl acetate
Basic information
- CAS
6126-58-5- Standard SMILES
CC(=O)OC(C)CC1CCCCC12OCCO2- InChIKey
OEMBLKCCUXIBSK-UHFFFAOYSA-N- Molecular formula
- C13H22O4
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.15180918
Names & identifiers
- Preferred name
- 1-(1,4-Dioxaspiro[4.5]dec-6-yl)propan-2-yl acetate
- IUPAC
- 1-(1,4-dioxaspiro[4.5]decan-6-yl)propan-2-yl acetate
Names & synonyms
6126-58-51-(1,4-dioxaspiro[4.5]dec-6-yl)propan-2-yl acetateNSC1009881-(1,4-dioxaspiro[4.5]decan-6-yl)propan-2-yl acetateDTXSID50295287NSC-100988
Database identifiers
- CAS
6126-58-5- PubChem CID
- 265159
- DTXSID
DTXSID50295287
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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