ethyl 2-(2-propyl-1,3-dioxolan-2-yl)acetate

• ChemBase ID: 168525
• Molecular Formular: C10H18O4
• Molecular Mass: 202.24752
• Monoisotopic Mass: 202.12050906
• SMILES: C(=O)(CC1(CCC)OCCO1)OCC
• Canonical SMILES: CCOC(=O)CC1(CCC)OCCO1
• InChI: InChI=1S/C10H18O4/c1-3-5-10(13-6-7-14-10)8-9(11)12-4-2/h3-8H2,1-2H3
• InChIKey: AXNPDRYPXSHROR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-propyl-1,3-dioxolan-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(2-propyl-1,3-dioxolan-2-yl)acetate
• Synonyms: 2-Propyl-1,3-dioxolane-2-acetic Acid Ethyl Ester; (2-Propyl-1,3-dioxolan-2-yl)acetic Acid Ethyl Ester; 3,3-Ethylenedioxyhexanoic Acid Ethyl Ester; Ethyl 3-(1,3-Dioxolane)hexanoate

Database IDs

• CAS Number: 76924-94-2
• PubChem SID: 162262657
• PubChem CID: 14505110

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7791296
• LogD (pH = 7.4): 1.7791296
• Log P: 1.7791296
• Molar Refractivity: 51.2179 cm^3
• Polarizability: 20.618595 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Colourless Viscous Liquid