2-ethyl-3-methyloxirane

• ChemBase ID: 138534
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: CCC1C(O1)C
• Canonical SMILES: CCC1OC1C
• InChI: InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3
• InChIKey: BCJPEZMFAKOJPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-3-methyloxirane
• IUPAC Traditional name: 2-ethyl-3-methyloxirane
• Synonyms: 2-Ethyl-3-methyloxirane; 2,3-Epoxypentane,mixture of isomers; 2-乙基-3-甲基环氧乙烷; 2,3-环氧戊烷，同分异构体混合物

Database IDs

• CAS Number: 4016-15-3
• MDL Number: MFCD00192125
• PubChem SID: 162232789
• PubChem CID: 520554

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.308697
• LogD (pH = 7.4): 1.308697
• Log P: 1.308697
• Molar Refractivity: 24.4051 cm^3
• Polarizability: 9.900833 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H10O