1-iodo(2H21)decane

• ChemBase ID: 171675
• Molecular Formular: C10H21I
• Molecular Mass: 268.17821
• Monoisotopic Mass: 268.06879867
• SMILES: C(CCCCCCCCI)C
• Canonical SMILES: CCCCCCCCCCI
• InChI: InChI=1S/C10H21I/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
• InChIKey: SKIDNYUZJPMKFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo(^2H₂₁)decane
• IUPAC Traditional name: 1-iodo(^2H₂₁)decane
• Synonyms: 1-Decyl-d21 Iodide; Decyl-d21 Iodide; n-Decyl-d21 Iodide; 1-Iododecane-d21

Database IDs

• PubChem SID: 164227585
• PubChem CID: 71749510

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4430985
• LogD (pH = 7.4): 5.4430985
• Log P: 5.4430985
• Molar Refractivity: 61.0241 cm^3
• Polarizability: 23.989622 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - I695002

Labelled 1-Iododecane (I695000).