1,6-bis[4-(ethenyloxy)butyl] hexanedioate

• ChemBase ID: 138095
• Molecular Formular: C18H30O6
• Molecular Mass: 342.4272
• Monoisotopic Mass: 342.20423868
• SMILES: C=COCCCCOC(=O)CCCCC(=O)OCCCCOC=C
• Canonical SMILES: C=COCCCCOC(=O)CCCCC(=O)OCCCCOC=C
• InChI: InChI=1S/C18H30O6/c1-3-21-13-7-9-15-23-17(19)11-5-6-12-18(20)24-16-10-8-14-22-4-2/h3-4H,1-2,5-16H2
• InChIKey: BRIBAUTYNMWEHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-bis[4-(ethenyloxy)butyl] hexanedioate
• IUPAC Traditional name: 1,6-bis[4-(ethenyloxy)butyl] hexanedioate
• Synonyms: VEctomer® 4060 vinyl ether; Bis[4-(vinyloxy)butyl] adipate; VEctomer® 4060 乙烯醚; 二[4-(乙烯氧基)丁基]己二酸酯

Database IDs

• CAS Number: 135876-36-7
• MDL Number: MFCD01863596
• PubChem SID: 162232353; 24873060
• PubChem CID: 4385119

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8524852
• LogD (pH = 7.4): 2.8524852
• Log P: 2.8524852
• Molar Refractivity: 90.7686 cm^3
• Polarizability: 36.34124 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.04 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.461(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: [CH2CH2CO2(CH2)4OCH=CH2]2

DETAILS

Sigma Aldrich - 496499

Legal Information
Product of Morflex, Inc.
VEctomer is a registered trademark of Vertellus Specialties, Inc.