(2E)-undec-2-en-1-ol

• ChemBase ID: 295557
• Molecular Formular: C11H22O
• Molecular Mass: 170.29178
• Monoisotopic Mass: 170.16706532
• SMILES: CCCCCCCC/C=C/CO
• Canonical SMILES: CCCCCCCC/C=C/CO
• InChI: InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10,12H,2-8,11H2,1H3/b10-9+
• InChIKey: SKBIQKQBLQHOSU-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-undec-2-en-1-ol
• IUPAC Traditional name: (2E)-undec-2-en-1-ol
• Synonyms: trans-2-Undecen-1-ol; 反-2-十一烯醇

Database IDs

• CAS Number: 75039-84-8
• EC Number: 253-569-4
• MDL Number: MFCD00014060
• Beilstein Number: 1841046
• PubChem SID: 180681088
• PubChem CID: 5365004

CALCULATED PROPERTIES

• Acid pKa: 16.081474
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7112885
• LogD (pH = 7.4): 3.7112885
• Log P: 3.7112885
• Molar Refractivity: 55.3045 cm^3
• Polarizability: 21.394817 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 150°C/5mm
• Flash Point: >110°C(230°F)
• Density: 0.850
• Refractive Index: 1.4540

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 96%