2-[tris(propan-2-yloxy)methoxy]propane

• ChemBase ID: 138483
• Molecular Formular: C13H28O4
• Molecular Mass: 248.35902
• Monoisotopic Mass: 248.19875938
• SMILES: CC(C)OC(OC(C)C)(OC(C)C)OC(C)C
• Canonical SMILES: CC(OC(OC(C)C)(OC(C)C)OC(C)C)C
• InChI: InChI=1S/C13H28O4/c1-9(2)14-13(15-10(3)4,16-11(5)6)17-12(7)8/h9-12H,1-8H3
• InChIKey: PUAUAWJVTROGJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[tris(propan-2-yloxy)methoxy]propane
• IUPAC Traditional name: 2-(triisopropoxymethoxy)propane
• Synonyms: Tetraisopropyl orthocarbonate; 原碳酸四异丙酯

Database IDs

• CAS Number: 36597-49-6
• MDL Number: MFCD00008878
• PubChem SID: 162232738
• PubChem CID: 119025

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.4081254
• LogD (pH = 7.4): 4.4081254
• Log P: 4.4081254
• Molar Refractivity: 68.2366 cm^3
• Polarizability: 27.450409 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C13H28O4