6-(But-3-yn-1-yl)-6-methyl-1,4-dioxaspiro[4.5]decane
Basic information
- CAS
65432-02-2- Standard SMILES
C#CCCC1(C)CCCCC12OCCO2- InChIKey
HTSGFLDKDHOFAP-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 6-(But-3-yn-1-yl)-6-methyl-1,4-dioxaspiro[4.5]decane
- IUPAC
- 6-but-3-ynyl-6-methyl-1,4-dioxaspiro[4.5]decane
Names & synonyms
65432-02-26-(But-3-yn-1-yl)-6-methyl-1,4-dioxaspiro[4.5]decaneDTXSID30525897
Database identifiers
- CAS
65432-02-2- PubChem CID
- 13188174
- DTXSID
DTXSID30525897
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
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Compound notes
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