(2R)-2-(butoxymethyl)oxirane

• ChemBase ID: 90459
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: O1[C@H](C1)COCCCC
• Canonical SMILES: CCCCOC[C@H]1CO1
• InChI: InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3/t7-/m0/s1
• InChIKey: YSUQLAYJZDEMOT-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(butoxymethyl)oxirane
• IUPAC Traditional name: (2R)-2-(butoxymethyl)oxirane
• Synonyms: (2S)-2-(Butoxymethyl)oxirane; (2S)-3-Butoxy-1,2-epoxypropane; Butyl glycidyl ether; (2S)-3-Butoxy-1,2-propenoxide

Database IDs

• PubChem SID: 162104831
• PubChem CID: 6560427

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.289715
• LogD (pH = 7.4): 1.289715
• Log P: 1.289715
• Molar Refractivity: 35.6308 cm^3
• Polarizability: 14.282731 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Flammable