1,3-Pentanediol, 2-[(2S)-2-methylbutyl]-, (2S,3R)-

Base Information

• Chemical Name: 1,3-Pentanediol, 2-[(2S)-2-methylbutyl]-, (2S,3R)-
• CAS No.: 506449-74-7
• Molecular Formula: C10H22O2
• Molecular Weight: 174.283
• DSSTox Substance ID: DTXSID50462235
• Nikkaji Number: J1.261.448I
• Wikidata: Q82286734
• Mol file: 506449-74-7.mol

Synonyms:506449-74-7;1,3-Pentanediol, 2-[(2S)-2-methylbutyl]-, (2S,3R)-;DTXSID50462235;(2S,3R)-2-[(S)-2-Methylbutyl]-1,3-pentanediol

Chemical Property of 1,3-Pentanediol, 2-[(2S)-2-methylbutyl]-, (2S,3R)-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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