(2R)-Pentylbutanedioic Acid 4-(1,1-Dimethylethyl) Ester

Base Information

• Chemical Name: (2R)-Pentylbutanedioic Acid 4-(1,1-Dimethylethyl) Ester
• CAS No.: 200866-62-2
• Molecular Formula: C₁₄H₂₆O₄
• Molecular Weight: 258.358
• DSSTox Substance ID: DTXSID601249009

Synonyms:SCHEMBL6808467;DTXSID601249009;4-(1,1-Dimethylethyl) (2R)-2-hexylbutanedioate;(2R)-Pentylbutanedioic Acid 4-(1,1-Dimethylethyl) Ester;200866-62-2

Chemical Property of (2R)-Pentylbutanedioic Acid 4-(1,1-Dimethylethyl) Ester

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 258.18310931
• Heavy Atom Count: 18
• Complexity: 266

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(CC(=O)OC(C)(C)C)C(=O)O
• Isomeric SMILES: CCCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)O

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