(1R,5S)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one

Base Information

• Chemical Name: (1R,5S)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
• CAS No.: 30860-35-6
• Molecular Formula: C10H16O2
• Molecular Weight: 168.23300
• DSSTox Substance ID: DTXSID50427581
• Mol file: 30860-35-6.mol

Synonyms:ZINC03845949;30860-35-6;DTXSID50427581

Chemical Property of (1R,5S)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one

Chemical Property:

• PSA: 26.30000
• LogP: 1.98570
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC1(C(=O)OC2)C)C
• Isomeric SMILES: C[C@@]12CC[C@@H](C1(C)C)COC2=O

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