(E)-tert-Butyl hept-2-enoate

Base Information

• Chemical Name: (E)-tert-Butyl hept-2-enoate
• CAS No.: 129488-82-0
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.279
• European Community (EC) Number: 603-335-6
• DSSTox Substance ID: DTXSID701295198
• Nikkaji Number: J1.701.806J
• Mol file: 129488-82-0.mol

Synonyms:129488-82-0;(E)-tert-Butyl hept-2-enoate;2-Heptenoic acid, 1,1-dimethylethyl ester, (2E)-;tert-butyl (E)-2-heptenoate;tert-butyl(E)-hept-2-enoate;SCHEMBL1883791;tert-butyl (E)-hept-2-enoate;SCHEMBL10310662;tert-butyl (2E)-hept-2-enoate;XLGVILSEPNPWLX-CMDGGOBGSA-N;DTXSID701295198;1,1-Dimethylethyl (2E)-2-heptenoate;CS-0066698

Chemical Property of (E)-tert-Butyl hept-2-enoate

Chemical Property:

• Vapor Pressure: 0.0878mmHg at 25°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC=CC(=O)OC(C)(C)C
• Isomeric SMILES: CCCC/C=C/C(=O)OC(C)(C)C