(3S)-3,7-Dimethyl-2-(3-oxobutyl)oct-6-enal

Base Information

• Chemical Name: (3S)-3,7-Dimethyl-2-(3-oxobutyl)oct-6-enal
• CAS No.: 343964-35-2
• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.343
• European Community (EC) Number: 841-198-6
• Nikkaji Number: J1.495.218G

Synonyms:(3S)-3,7-Dimethyl-2-(3-oxobutyl)oct-6-enal;343964-35-2;starbld0012961;SCHEMBL15786451

Chemical Property of (3S)-3,7-Dimethyl-2-(3-oxobutyl)oct-6-enal

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 224.177630004
• Heavy Atom Count: 16
• Complexity: 250

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MSDS Files:

Useful:

• Canonical SMILES: CC(CCC=C(C)C)C(CCC(=O)C)C=O
• Isomeric SMILES: C[C@@H](CCC=C(C)C)C(CCC(=O)C)C=O

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