(Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formylpent-2-enoic acid

Base Information

• Chemical Name: (Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formylpent-2-enoic acid
• CAS No.: 137109-33-2
• Molecular Formula: C20H30 O3
• Molecular Weight: 318.4504
• Nikkaji Number: J638.425K
• Wikidata: Q105157719
• Mol file: 137109-33-2.mol

Synonyms:16-oxocleroda-3,13(14)-dien-15-oic acid;polyalthialdoic acid

Chemical Property of (Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formylpent-2-enoic acid

Chemical Property:

• Vapor Pressure: 3.37E-09mmHg at 25°C
• Boiling Point: 446°Cat760mmHg
• Flash Point: 237.7°C
• PSA: 54.37000
• Density: 1.021g/cm³
• LogP: 4.77530
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 318.21949481
• Heavy Atom Count: 23
• Complexity: 545

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C(C1(C)CCC(=CC(=O)O)C=O)CCC=C2C)C
• Isomeric SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/C(=O)O)/C=O)CCC=C2C)C