propan-2-yl dodecanoate

• ChemBase ID: 287294
• Molecular Formular: C15H30O2
• Molecular Mass: 242.3975
• Monoisotopic Mass: 242.2245802
• SMILES: CCCCCCCCCCCC(=O)OC(C)C
• Canonical SMILES: CCCCCCCCCCCC(=O)OC(C)C
• InChI: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
• InChIKey: UJPPXNXOEVDSRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl dodecanoate
• IUPAC Traditional name: isopropyl laurate
• Synonyms: Isopropyl dodecanoate

Database IDs

• CAS Number: 10233-13-3
• MDL Number: MFCD00451146
• PubChem SID: 180672825
• PubChem CID: 25068

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.397585
• LogD (pH = 7.4): 5.397585
• Log P: 5.397585
• Molar Refractivity: 72.6161 cm^3
• Polarizability: 29.128262 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%