tridecan-5-ol

• ChemBase ID: 111155
• Molecular Formular: C13H28O
• Molecular Mass: 200.36082
• Monoisotopic Mass: 200.21401552
• SMILES: CCCCCCCCC(O)CCCC
• Canonical SMILES: CCCCCCCCC(CCCC)O
• InChI: InChI=1S/C13H28O/c1-3-5-7-8-9-10-12-13(14)11-6-4-2/h13-14H,3-12H2,1-2H3
• InChIKey: GRDYSMCYPTWIPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecan-5-ol
• IUPAC Traditional name: tridecan-5-ol
• Synonyms: 5-TRIDECANOL

Database IDs

• CAS Number: 58783-82-7
• PubChem SID: 162096562
• PubChem CID: 143577

CALCULATED PROPERTIES

• Acid pKa: 18.484179
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.8564
• LogD (pH = 7.4): 4.8564
• Log P: 4.8564
• Molar Refractivity: 63.2847 cm^3
• Polarizability: 25.321913 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217965

MP Biomedicals Rare Chemical collection