5-(3-Hydroxyprop-1-yn-1-yl)-2,2-dimethyl-1,3-dioxan-5-ol

Base Information

• Chemical Name: 5-(3-Hydroxyprop-1-yn-1-yl)-2,2-dimethyl-1,3-dioxan-5-ol
• CAS No.: 918952-51-9
• Molecular Formula: C9H14O4
• Molecular Weight: 186.20500
• DSSTox Substance ID: DTXSID90580386
• Nikkaji Number: J2.405.773I
• Wikidata: Q82471211
• Mol file: 918952-51-9.mol

Synonyms:918952-51-9;DTXSID90580386;5-(3-Hydroxyprop-1-yn-1-yl)-2,2-dimethyl-1,3-dioxan-5-ol

Chemical Property of 5-(3-Hydroxyprop-1-yn-1-yl)-2,2-dimethyl-1,3-dioxan-5-ol

Chemical Property:

• PSA: 58.92000
• LogP: -0.50390
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 186.08920892
• Heavy Atom Count: 13
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCC(CO1)(C#CCO)O)C