2-methylhexadecan-5-ol

• ChemBase ID: 111630
• Molecular Formular: C17H36O
• Molecular Mass: 256.46714
• Monoisotopic Mass: 256.27661577
• SMILES: CCCCCCCCCCCC(O)CCC(C)C
• Canonical SMILES: CCCCCCCCCCCC(CCC(C)C)O
• InChI: InChI=1S/C17H36O/c1-4-5-6-7-8-9-10-11-12-13-17(18)15-14-16(2)3/h16-18H,4-15H2,1-3H3
• InChIKey: FHDZLAXRYJJPLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylhexadecan-5-ol
• IUPAC Traditional name: 2-methylhexadecan-5-ol
• Synonyms: 2-METHYL-n-HEXADECANOL-5

Database IDs

• PubChem SID: 162106543
• PubChem CID: 44135624

CALCULATED PROPERTIES

• Acid pKa: 18.47276
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.477125
• LogD (pH = 7.4): 6.477125
• Log P: 6.477125
• Molar Refractivity: 81.6363 cm^3
• Polarizability: 32.707966 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05220103

MP Biomedicals Rare Chemical collection