6,6-dibenzyl-1,4,8,11-tetraoxacyclotetradecane

• ChemBase ID: 158307
• Molecular Formular: C24H32O4
• Molecular Mass: 384.50848
• Monoisotopic Mass: 384.2300595
• SMILES: c1ccc(cc1)CC1(COCCOCCCOCCOC1)Cc1ccccc1
• Canonical SMILES: O1CCOCCCOCCOCC(C1)(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C24H32O4/c1-3-8-22(9-4-1)18-24(19-23-10-5-2-6-11-23)20-27-16-14-25-12-7-13-26-15-17-28-21-24/h1-6,8-11H,7,12-21H2
• InChIKey: KDMUFHBMXZLDLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6-dibenzyl-1,4,8,11-tetraoxacyclotetradecane
• IUPAC Traditional name: 6,6-dibenzyl-1,4,8,11-tetraoxacyclotetradecane
• Synonyms: 6,6-Dibenzyl-1,4,8-11-tetraoxacyclotetradecane; 6,6-Dibenzyl-14-crown-4; Lithium ionophore VI; 6,6-二苄基-1,4,8-11-四氧杂环十四烷; 6,6-二苄基-14-冠-4; 锂离子载体 VI

Database IDs

• CAS Number: 106868-21-7
• MDL Number: MFCD00037498
• Beilstein Number: 5991129
• PubChem SID: 24882245; 162252443
• PubChem CID: 4149215

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0604377
• LogD (pH = 7.4): 4.0604377
• Log P: 4.0604377
• Molar Refractivity: 112.0561 cm^3
• Polarizability: 43.91167 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (HPLC)
• Grade: Selectophore™
• Quality: function tested
• Empirical Formula (Hill Notation): C24H32O4

DETAILS

Sigma Aldrich - 62567

Application
Neutral carrier for Li+-ions in PVC ion-selective electrodes with excellent selectivities over potassium and sodium ions
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH