2-((5S)-Dihydro-5-propyl-2(3H)-furanylidene)-1,3-cyclopentanedione
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Basic information
- CAS
31323-50-9- Standard SMILES
CCC[C@H]1CCC(=C2C(=O)CCC2=O)O1- InChIKey
AFHDYMGMZUYZQT-QMMMGPOBSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Overview
Oudenone is a member of oxolanes.
Names & identifiers
- Preferred name
- 2-((5S)-Dihydro-5-propyl-2(3H)-furanylidene)-1,3-cyclopentanedione
- IUPAC
- 2-[(5S)-5-propyloxolan-2-ylidene]cyclopentane-1,3-dione
- English name
- oudenone
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
Oudenone31323-50-92X2W3L9A372-[(5S)-5-propyloxolan-2-ylidene]cyclopentane-1,3-dione1,3-Cyclopentanedione, 2-(dihydro-5-propyl-2(3H)-furylidene)-, (S)-DTXSID701852522-((5S)-5-PROPYLOXOLAN-2-YLIDENE)CYCLOPENTANE-1,3-DIONE2-((5S)-DIHYDRO-5-PROPYL-2(3H)-FURANYLIDENE)-1,3-CYCLOPENTANEDIONERefChem:909012DTXCID80107743(S)-2-(4,5-dihydro-5-propyl-2(3H)-furylidene)-1,3-cyclopentanedioneUNII-2X2W3L9A37
Show more names
2-[(S)-Tetrahydro-5-propylfuran-2-ylidene]-1,3-cyclopentanedione1,3-Cyclopentanedione, 2-[(5S)-dihydro-5-propyl-2(3H)-furanylidene]-2-[(S)-4,5-Dihydro-5-propylfuran-2(3H)-ylidene]cyclopentane-1,3-dione
orb3024756SCHEMBL8515013CHEBI:224186HY-N14880TN10165Q7110267(S)-2-(4,5-dihydro-5-propyl-2(3H)- furylidene)-1,3-cyclopentanedione1,3-CYCLOPENTANEDIONE, 2-((5S)-DIHYDRO-5-PROPYL-2(3H)-FURANYLIDENE)-
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 77.5 °C · 77.5°C
- Boiling point
- 255.5 °C · 255.5°C (estimate)
- Density
- 1.1227 · 1.1227 (rough estimate)
- refractive index
- 1.535 · 1.5350 (estimate)
- form
- A solid
- FDA UNII
- 2 X2W3L9A37 · 2X2W3L9A37
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 1100 mg/kg 85ERAY 3,2018,78
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-mus: 1100 mg/kg 85ERAY 3,2018,78
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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