methyl 2-(cyclopropylmethoxy)acetate

• ChemBase ID: 258440
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: C1CC1COCC(=O)OC
• Canonical SMILES: COC(=O)COCC1CC1
• InChI: InChI=1S/C7H12O3/c1-9-7(8)5-10-4-6-2-3-6/h6H,2-5H2,1H3
• InChIKey: YFULVUCJQXKMEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(cyclopropylmethoxy)acetate
• IUPAC Traditional name: methyl 2-(cyclopropylmethoxy)acetate
• Synonyms: methyl (cyclopropylmethoxy)acetate

Database IDs

• MDL Number: MFCD10693214
• PubChem SID: 164314350
• PubChem CID: 39870581

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5290041
• LogD (pH = 7.4): 0.5290041
• Log P: 0.5290041
• Molar Refractivity: 35.8082 cm^3
• Polarizability: 14.39813 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.79

Product Information

• Purity: 95%