octadec-9-ene-1,12-diol

• ChemBase ID: 104596
• Molecular Formular: C18H36O2
• Molecular Mass: 284.47724
• Monoisotopic Mass: 284.27153039
• SMILES: CCCCCCC(O)C/C=C/CCCCCCCCO
• Canonical SMILES: CCCCCCC(C/C=C/CCCCCCCCO)O
• InChI: InChI=1S/C18H36O2/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3
• InChIKey: DKBBOWMEYUBDGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadec-9-ene-1,12-diol
• IUPAC Traditional name: octadec-9-ene-1,12-diol
• Synonyms: RICINOLEYL ALCOHOL TECHNICAL GRADE; 12-Hydroxy-cis-9-octadecenol; RICINOLEYL ALCOHOL

Database IDs

• CAS Number: 540-11-4
• EC Number: 208-737-1
• PubChem SID: 162091608
• PubChem CID: 5463514

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.280643
• LogD (pH = 7.4): 5.280643
• Log P: 5.280643
• Molar Refractivity: 89.335 cm^3
• Polarizability: 34.90171 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 99%
• Grade: TECHNICAL

DETAILS

MP Biomedicals - 05217946

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02156554

Purity: 99%