4-Methylene-1,3-dioxaspiro[4.5]decan-2-one
Basic information
- CAS
92474-80-1- Standard SMILES
C=C1OC(=O)OC12CCCCC2- InChIKey
CJCSXIURLVVZLZ-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 4-Methylene-1,3-dioxaspiro[4.5]decan-2-one
- IUPAC
- 4-methylidene-1,3-dioxaspiro[4.5]decan-2-one
- English name
- 4-Methylene-1,3-dioxaspiro[4.5]decan-2-one
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
4-Methylene-1,3-dioxaspiro[4.5]decan-2-one92474-80-14-methylidene-1,3-dioxaspiro[4.5]decan-2-oneSCHEMBL1694589DTXSID90350682MFCD01593659SBB001615STK675858AKOS005593872DB-081456ST4049805CS-0325836
Show more names
4-METHYLENE-1,3-DIOXASPIRO[4.5]DECANE-2-ONE1,3-Dioxaspiro[4.5]decan-2-one, 4-methylene-5'-Methylenespiro[cyclohexane-1,4'-[1,3]dioxolan]-2'-one
SR-01000526353SR-01000526353-1
Database identifiers
- CAS
92474-80-1- PubChem CID
- 685916
- DTXSID
DTXSID90350682- Nikkaji
- J450.588C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 228.9 · 228.9±33.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- Hazard Codes
- Xi
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
- hazard_code
- Xi
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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