(2S)-2-pentyloxirane

• ChemBase ID: 101689
• Molecular Formular: C7H14O
• Molecular Mass: 114.18546
• Monoisotopic Mass: 114.10446507
• SMILES: O1C[C@@H]1CCCCC
• Canonical SMILES: CCCCC[C@H]1CO1
• InChI: InChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3/t7-/m0/s1
• InChIKey: NMOFYYYCFRVWBK-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-pentyloxirane
• IUPAC Traditional name: (2S)-2-pentyloxirane
• Synonyms: (S)-2-Pentyloxirane

Database IDs

• CAS Number: 61229-03-6
• MDL Number: MFCD06657660
• PubChem SID: 162089169
• PubChem CID: 10986189

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.225828
• LogD (pH = 7.4): 2.225828
• Log P: 2.225828
• Molar Refractivity: 33.7893 cm^3
• Polarizability: 13.586596 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%