2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)-
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Basic information
- CAS
126622-46-6- Standard SMILES
C=CCCCCCCCCCC=C1CC(CO)OC1=O- InChIKey
XOPQVUWGWFRPQD-UHFFFAOYSA-N- Molecular formula
- C17H28O3
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.20384475
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)-
- IUPAC
- 3-dodec-11-enylidene-5-(hydroxymethyl)oxolan-2-one
- English name
- majorenolide
- Molecular formula
- C17H28O3
- Molecular weight
- 280.41
Names & synonyms
3-dodec-11-enylidene-5-(hydroxymethyl)oxolan-2-one2H-Pyran-2-one, 3-(11-dodecenylidene)tetrahydro-5-hydroxy-, (E)-(-)-DTXSID709256353-(Dodec-11-en-1-ylidene)-5-(hydroxymethyl)oxolan-2-onemajorenolide2(3H)-Furanone, 3-(11-dodecen-1-ylidene)dihydro-5-(hydroxymethyl)-, (3E)-(-)-
Database identifiers
- CAS
126622-46-6- PubChem CID
- 124391
- DTXSID
DTXSID70925635
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 427.9 · 427.9±28.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 13.89 · 13.89±0.10(Predicted)
- LogP
- 4.36 · 4.360 (est)
Related reactions
0 records
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Compound notes
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