6-iodohex-1-ene

• ChemBase ID: 143487
• Molecular Formular: C6H11I
• Molecular Mass: 210.05601
• Monoisotopic Mass: 209.99054835
• SMILES: C=CCCCCI
• Canonical SMILES: ICCCCC=C
• InChI: InChI=1S/C6H11I/c1-2-3-4-5-6-7/h2H,1,3-6H2
• InChIKey: QTCKFQMYOMTINU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodohex-1-ene
• IUPAC Traditional name: 6-iodohex-1-ene
• Synonyms: 6-Iodo-1-hexene

Database IDs

• CAS Number: 18922-04-8
• MDL Number: MFCD18632576
• Beilstein Number: 1699386
• PubChem SID: 162237706
• PubChem CID: 10878409

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.360836
• LogD (pH = 7.4): 3.360836
• Log P: 3.360836
• Molar Refractivity: 42.6642 cm^3
• Polarizability: 16.496021 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338

Product Information

• Purity: ≥98.0% (GC)
• Empirical Formula (Hill Notation): C6H11I