5-Methylhex-2-yne-1,4-diol

Base Information

• Chemical Name: 5-Methylhex-2-yne-1,4-diol
• CAS No.: 35336-44-8
• Molecular Formula: C7H12O2
• Molecular Weight: 128.16900
• ChEMBL ID: CHEMBL3799124
• DSSTox Substance ID: DTXSID10577177
• Nikkaji Number: J2.132.398E
• Mol file: 35336-44-8.mol

Synonyms:5-Methylhex-2-yne-1,4-diol;35336-44-8;CHEMBL3799124;DTXSID10577177

Chemical Property of 5-Methylhex-2-yne-1,4-diol

Chemical Property:

• PSA: 40.46000
• LogP: -0.00100
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C#CCO)O