3-Hydroxy-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-yl 2-methylbut-2-enoate

Base Information

• Chemical Name: 3-Hydroxy-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-yl 2-methylbut-2-enoate
• CAS No.: 89803-99-6
• Molecular Formula: C20H32O4
• Molecular Weight: 336.472
• DSSTox Substance ID: DTXSID50702840
• Wikidata: Q82634850,Q110186870
• Mol file: 89803-99-6.mol

Synonyms:DTXSID50702840;89803-99-6;3-Hydroxy-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-yl 2-methylbut-2-enoate

Chemical Property of 3-Hydroxy-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-yl 2-methylbut-2-enoate

Chemical Property:

• Boiling Point: 433.6±45.0 °C(Predicted)
• PKA: 14.18±0.70(Predicted)
• PSA: 59.06000
• Density: 1.06±0.1 g/cm3(Predicted)
• LogP: 3.92930
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 336.23005950
• Heavy Atom Count: 24
• Complexity: 546

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C=C(C(CC2C(O2)(CCCC1(C)C)C)O)C

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