2,2-tert-Diisobutyl-1,3-propanediol

• CAS: 10547-96-3
• Catalog Number: ACM10547963
• Category: Other Products
• Molecular Weight: 188.31g/mol
• Molecular Formula: C11H24O2
• IUPAC Name: 2,2-bis(2-methylpropyl)propane-1,3-diol
• Canonical SMILES: CC(C)CC(CC(C)C)(CO)CO
• InChI: InChI=1S/C11H24O2/c1-9(2)5-11(7-12,8-13)6-10(3)4/h9-10,12-13H,5-8H2,1-4H3
• InChI Key: PTRCHMOHGGDNIJ-UHFFFAOYSA-N
• Complexity: 114
• Covalently-Bonded Unit Count: 1
• Exact Mass: 188.17763g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 188.17763g/mol
• Rotatable Bond Count: 6
• XLogP3: 2.3