5-methyltetradecan-5-ol

• ChemBase ID: 112137
• Molecular Formular: C15H32O
• Molecular Mass: 228.41398
• Monoisotopic Mass: 228.24531564
• SMILES: CCCCCCCCCC(C)(O)CCCC
• Canonical SMILES: CCCCCCCCCC(CCCC)(O)C
• InChI: InChI=1S/C15H32O/c1-4-6-8-9-10-11-12-14-15(3,16)13-7-5-2/h16H,4-14H2,1-3H3
• InChIKey: HETIWSHUZYJIPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyltetradecan-5-ol
• IUPAC Traditional name: 5-methyltetradecan-5-ol
• Synonyms: 5-METHYL TETRADECANOL-5

Database IDs

• PubChem SID: 162106618
• PubChem CID: 44135641

CALCULATED PROPERTIES

• Acid pKa: 19.302492
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.5815454
• LogD (pH = 7.4): 5.5815454
• Log P: 5.5815454
• Molar Refractivity: 72.5239 cm^3
• Polarizability: 29.014809 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05222702

MP Biomedicals Rare Chemical collection