(11E)-tetradec-11-enal

• ChemBase ID: 53055
• Molecular Formular: C14H26O
• Molecular Mass: 210.35564
• Monoisotopic Mass: 210.19836545
• SMILES: C(=O)CCCCCCCCC/C=C/CC
• Canonical SMILES: O=CCCCCCCCCC/C=C/CC
• InChI: InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,14H,2,5-13H2,1H3/b4-3+
• InChIKey: SPFYVVCZIOLVOK-ONEGZZNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (11E)-tetradec-11-enal
• IUPAC Traditional name: (11E)-tetradec-11-enal
• Synonyms: (E)-11-Tetradecenal

Database IDs

• CAS Number: 35746-21-5
• MDL Number: MFCD00798087
• PubChem SID: 162057818
• PubChem CID: 6365677

CALCULATED PROPERTIES

• Acid pKa: 15.555514
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8469076
• LogD (pH = 7.4): 4.8469076
• Log P: 4.8469076
• Molar Refractivity: 68.0728 cm^3
• Polarizability: 26.382998 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%