2-{3-[5,8-Dihydroxy-2-methyl-2-(4-methylpentyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-3-oxopropyl}cyclohexa-2,5-diene-1,4-dione

Base Information

• Chemical Name: 2-{3-[5,8-Dihydroxy-2-methyl-2-(4-methylpentyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-3-oxopropyl}cyclohexa-2,5-diene-1,4-dione
• CAS No.: 18227-69-5
• Molecular Formula: C25H30O6
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00702774
• Nikkaji Number: J114.613K
• Mol file: 18227-69-5.mol

Synonyms:18227-69-5;DTXSID00702774;CFUHXWZFOLVVDB-UHFFFAOYSA-N;2-[2-[(5,8-Dihydroxy-2-isohexyl-2-methylchroman-6-yl)carbonyl]ethyl]-p-benzoquinone;p-Benzoquinone, 2-[2-[(5,8-dihydroxy-2-isohexyl-2-methyl-6-chromanyl)carbonyl]ethyl]-;2-{3-[5,8-Dihydroxy-2-methyl-2-(4-methylpentyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-3-oxopropyl}cyclohexa-2,5-diene-1,4-dione

Chemical Property of 2-{3-[5,8-Dihydroxy-2-methyl-2-(4-methylpentyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-3-oxopropyl}cyclohexa-2,5-diene-1,4-dione

Chemical Property:

• PSA: 100.90000
• LogP: 4.60510
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 426.20423867
• Heavy Atom Count: 31
• Complexity: 766

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC1(CCC2=C(C(=CC(=C2O1)O)C(=O)CCC3=CC(=O)C=CC3=O)O)C

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