2,6-Dimethyl-5-heptenoic acid

Base Information

• Chemical Name: 2,6-Dimethyl-5-heptenoic acid
• CAS No.: 24555-30-4
• Molecular Formula: C9H16O2
• Molecular Weight: 156.225
• DSSTox Substance ID: DTXSID10503395
• Metabolomics Workbench ID: 1141
• Nikkaji Number: J2.366.026A
• Mol file: 24555-30-4.mol

Synonyms:2,6-Dimethyl-5-heptenoic acid;2,6-DIMETHYLHEPT-5-ENOIC ACID;24555-30-4;SCHEMBL5369538;DTXSID10503395;CHEBI:195757;LMFA01030801;AKOS006294470

Chemical Property of 2,6-Dimethyl-5-heptenoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.45350
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=C(C)C)C(=O)O