(pentyloxy)benzene

• ChemBase ID: 253599
• Molecular Formular: C11H16O
• Molecular Mass: 164.24414
• Monoisotopic Mass: 164.12011513
• SMILES: c1(OCCCCC)ccccc1
• Canonical SMILES: CCCCCOc1ccccc1
• InChI: InChI=1S/C11H16O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
• InChIKey: HPUOAJPGWQQRNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentyloxy)benzene
• IUPAC Traditional name: pentyloxybenzene
• Synonyms: (pentyloxy)benzene

Database IDs

• CAS Number: 2050-04-6
• MDL Number: MFCD00027264
• PubChem SID: 164309509
• PubChem CID: 16298

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5840423
• LogD (pH = 7.4): 3.5840423
• Log P: 3.5840423
• Molar Refractivity: 50.9958 cm^3
• Polarizability: 20.244614 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.177

Product Information

• Purity: 95%