2,4-Diethyl-1,5-pentanediol

• CAS: 57987-55-0
• Catalog Number: ACM57987550
• Category: Other Products
• Molecular Weight: 160.25g/mol
• Molecular Formula: C9H20O2
• Synonyms: 2,4-Diethyl-1,5-pentanediol;3,5-bis-(Hydroxymethyl)heptane
• IUPAC Name: 2,4-diethylpentane-1,5-diol
• Canonical SMILES: CCC(CC(CC)CO)CO
• InChI: InChI=1S/C9H20O2/c1-3-8(6-10)5-9(4-2)7-11/h8-11H,3-7H2,1-2H3
• InChI Key: OJRJDENLRJHEJO-UHFFFAOYSA-N
• Density: 0,95
• Complexity: 73.6
• Covalently-Bonded Unit Count: 1
• EC Number: 429-310-8
• Exact Mass: 160.14633g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 160.14633g/mol
• Rotatable Bond Count: 6
• XLogP3: 1.5