3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol

Base Information

• Chemical Name: 3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
• CAS No.: 62868-75-1
• Molecular Formula: C20H34O3
• Molecular Weight: 322.48
• Mol file: 62868-75-1.mol

Synonyms:

Chemical Property of 3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol

Chemical Property:

• Boiling Point: 408.5±30.0 °C(Predicted)
• PKA: 14.27±0.70(Predicted)
• PSA: 60.69000
• Density: 1.030±0.06 g/cm3(Predicted)
• LogP: 3.44400
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 322.25079494
• Heavy Atom Count: 23
• Complexity: 495

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCC1C2(CCCC(C2C(C(C1(C)O)O)O)(C)C)C)C=C
• Isomeric SMILES: C/C(=C/CC1C2(CCCC(C2C(C(C1(C)O)O)O)(C)C)C)/C=C