Basic information
- CAS
1820-50-4- Standard SMILES
C1=CCC(C2OCC3(CC=CCC3)CO2)CC1- InChIKey
GGKXOBDOBZUKPG-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 2,4-Dioxaspiro[5.5]undec-8-ene, 3-(3-cyclohexen-1-yl)-
- IUPAC
- 3-cyclohex-3-en-1-yl-2,4-dioxaspiro[5.5]undec-9-ene
- English name
- 3-(3-cyclohexen-1-yl)-2,4-dioxaspiro[5.5]undec-8-ene
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33398
Names & synonyms
1820-50-42,4-Dioxaspiro[5.5]undec-8-ene, 3-(3-cyclohexen-1-yl)-GGKXOBDOBZUKPG-UHFFFAOYSA-N3-(cyclohex-3-en-1-yl)-2,4-dioxaspiro[5.5]undec-8-ene3-cyclohex-3-en-1-yl-2,4-dioxaspiro[5.5]undec-9-eneSCHEMBL10803478DTXSID20883756NS000469053-(3-cyclohexen-1-yl)-2,4-dioxaspiro[5.5]undec-8-ene
Database identifiers
- CAS
1820-50-4- PubChem CID
- 13782871
- DTXSID
DTXSID20883756- EC Number
- 217-336-0
- Nikkaji
- J199.637A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 336.66 °C · 336.66°C (rough estimate)
- Density
- 1.0031 · 1.0031 (rough estimate)
- refractive index
- 1.5542 · 1.5542 (estimate)
- EPA Substance Registry System
- 2 · 2,4-Dioxaspiro[5.5]undec-8-ene, 3-(3-cyclohexen-1-yl)- (1820-50-4)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4-Dioxaspiro[5.5]undec-8-ene, 3-(3-cyclohexen-1-yl)-: INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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