Bicyclo(2.2.1)heptan-2,5-diol, diallyl ether
Basic information
- CAS
22590-50-7- Standard SMILES
C=CCOC1CC2CC1CC2OCC=C- InChIKey
NJODMNZNJKQZCB-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)heptan-2,5-diol, diallyl ether
- IUPAC
- 2,5-bis(prop-2-enoxy)bicyclo[2.2.1]heptane
- English name
- 2,5-Bis(allyloxy)norbornane
- Molecular weight
- 0
Names & synonyms
Bicyclo(2.2.1)hept-2,5-ylene, bisallyl ether22590-50-7BICYCLO(2.2.1)HEPTAN-2,5-DIOL, DIALLYL ETHERRefChem:3291802,5-Bis(allyloxy)norbornaneSCHEMBL2575333DTXSID809452432,5-Bis[(prop-2-en-1-yl)oxy]bicyclo[2.2.1]heptane
Database identifiers
- CAS
22590-50-7- PubChem CID
- 31431
- DTXSID
DTXSID80945243- Nikkaji
- J36.104F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 307.5 °C · 307.5°C (rough estimate)
- Density
- 0.9962 · 0.9962 (rough estimate)
- refractive index
- 1.486 · 1.4860 (estimate)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 3730 mL/kg AIHAAP 30,470,69
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-rat: 3730 mL/kg AIHAAP 30,470,69
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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