(Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Base Information

• Chemical Name: (Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
• CAS No.: 103001-17-8
• Molecular Formula: C20H34 O4
• Molecular Weight: 338.4816
• Nikkaji Number: J489.409J
• Mol file: 103001-17-8.mol

Synonyms:(1-alpha-2-beta-3-beta-4-alpha)-7-((hexyloxy)methyl)-7-oxabicyclo(2.2.1)hept-2-yl-5-heptenoic acid;SQ 28,852;SQ 28852;SQ-28852

Chemical Property of (Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Chemical Property:

• Vapor Pressure: 4.28E-10mmHg at 25°C
• Boiling Point: 469.1°Cat760mmHg
• Flash Point: 156.9°C
• PSA: 55.76000
• Density: 1.022g/cm³
• LogP: 4.57810
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 338.24570956
• Heavy Atom Count: 24
• Complexity: 393

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOCC1C2CCC(C1CC=CCCCC(=O)O)O2
• Isomeric SMILES: CCCCCCOC[C@H]1[C@@H]2CC[C@H]([C@H]1C/C=C\CCCC(=O)O)O2