(1r,2s,4r)-2-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Base Information

• Chemical Name: (1r,2s,4r)-2-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
• CAS No.: 75828-06-7
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• DSSTox Substance ID: DTXSID40506036
• Nikkaji Number: J1.880.289I
• Wikidata: Q82361586
• Mol file: 75828-06-7.mol

Synonyms:75828-06-7;SCHEMBL609535;DTXSID40506036;(1r,2s,4r)-2-ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Chemical Property of (1r,2s,4r)-2-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Chemical Property:

• Melting Point: 92 - 94 °C
• Boiling Point: 225.1±9.0 °C(Predicted)
• PSA: 20.23000
• Density: 1.02±0.1 g/cm3(Predicted)
• LogP: 2.19690
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC1(C(C2)(C#C)O)C)C
• Isomeric SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C#C)O