(1R,2S)-1-heptyl-2-octylcyclopentane

Base Information

• Chemical Name: (1R,2S)-1-heptyl-2-octylcyclopentane
• CAS No.: 155976-51-5
• Molecular Formula: C20H40
• Molecular Weight: 280.53
• DSSTox Substance ID: DTXSID90166008
• Nikkaji Number: J594.463E
• Wikidata: Q26840824
• Metabolomics Workbench ID: 38540
• Mol file: 155976-51-5.mol

Synonyms:8beta-prostane;(1R,2S)-1-heptyl-2-octylcyclopentane;155976-51-5;8-beta-prostane;(8beta)-prostane;Prostane, (8beta)-;1R-Heptyl-2S-octyl-cyclopentane;CHEBI:33023;DTXSID90166008;Q26840824

Chemical Property of (1R,2S)-1-heptyl-2-octylcyclopentane

Chemical Property:

• Vapor Pressure: 5.75E-05mmHg at 25°C
• Boiling Point: 357.1°Cat760mmHg
• Flash Point: 163.7°C
• PSA: 0.00000
• Density: 0.812g/cm³
• LogP: 7.51380
• XLogP3: 10.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 280.313001276
• Heavy Atom Count: 20
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1CCCC1CCCCCCC
• Isomeric SMILES: CCCCCCCC[C@H]1CCC[C@H]1CCCCCCC