(triethoxymethyl)cyclopropane

• ChemBase ID: 266140
• Molecular Formular: C10H20O3
• Molecular Mass: 188.264
• Monoisotopic Mass: 188.1412445
• SMILES: C(C1CC1)(OCC)(OCC)OCC
• Canonical SMILES: CCOC(C1CC1)(OCC)OCC
• InChI: InChI=1S/C10H20O3/c1-4-11-10(12-5-2,13-6-3)9-7-8-9/h9H,4-8H2,1-3H3
• InChIKey: ZTYOLAHNQQPGAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (triethoxymethyl)cyclopropane
• IUPAC Traditional name: (triethoxymethyl)cyclopropane
• Synonyms: (triethoxymethyl)cyclopropane

Database IDs

• MDL Number: MFCD16105118
• PubChem SID: 164322050
• PubChem CID: 60727936

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5066442
• LogD (pH = 7.4): 2.5066442
• Log P: 2.5066442
• Molar Refractivity: 51.9308 cm^3
• Polarizability: 20.505695 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.44

Product Information

• Purity: 95%