2-cyclododecylideneacetaldehyde

• ChemBase ID: 215962
• Molecular Formular: C14H24O
• Molecular Mass: 208.33976
• Monoisotopic Mass: 208.18271539
• SMILES: C1(=CC=O)CCCCCCCCCCC1
• Canonical SMILES: O=CC=C1CCCCCCCCCCC1
• InChI: InChI=1S/C14H24O/c15-13-12-14-10-8-6-4-2-1-3-5-7-9-11-14/h12-13H,1-11H2
• InChIKey: UXIUQVIXGCFPIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclododecylideneacetaldehyde
• IUPAC Traditional name: 2-cyclododecylideneacetaldehyde

Database IDs

• PubChem SID: 164271872
• PubChem CID: 7097541

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5417194
• LogD (pH = 7.4): 4.5417194
• Log P: 4.5417194
• Molar Refractivity: 65.9283 cm^3
• Polarizability: 25.643204 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds