5,8,11,14,17-Pentaoxaheneicosane

C₁₆H₃₄O₅CAS 112-98-1306.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₃₄O₅
Molar mass: 306.44 g/mol
Exact mass: 306.2406 Da
Boiling point: 170 °C (at 5 Torr)
logP: 2.67Crippen estimate
Polar surface area: 46.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 18

Identifiers

CAS number

112-98-1

SMILES

CCCCOCCOCCOCCOCCOCCCC

InChIKey

MQGIBEAIDUOVOH-UHFFFAOYSA-N

InChI

InChI=1S/C16H34O5/c1-3-5-7-17-9-11-19-13-15-21-16-14-20-12-10-18-8-6-4-2/h3-16H2,1-2H3

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Names and synonyms

4 names

Pentaether
Ether, bis[2-(2-butoxyethoxy)ethyl]
Tetraethylene glycol dibutyl ether
5,8,11,14,17-Pentaoxauneicosane

Work with 5,8,11,14,17-Pentaoxaheneicosane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Glycol dibutyl ether112-48-1100 % similar Diethylene glycol dibutyl ether112-73-2100 % similar Dibutyl ether142-96-193 % similar Pentyl ether693-65-275 % similar Dihexyl ether112-58-371 % similar Octyl ether629-82-371 % similar Deg monobutyl ether112-34-570 % similar Triethylene glycol monobutyl ether143-22-670 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,6,9,12-Tetraoxaeicosan-1-ol19327-39-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook