Bikethoxal

HCID 134685

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Basic information

CAS: 84031-85-6
Standard SMILES: CC(OCCOC(C)C(=O)C=O)C(=O)C=O
InChIKey: XZXKAVJBKMFIQX-UHFFFAOYSA-N
Molecular formula: C10H14O6
Average molar mass: 230.21 g/mol
Monoisotopic mass: 230.07903816

Overview

RN and structure from first source

Names & identifiers

Preferred name: Bikethoxal
IUPAC: 3-[2-(3,4-dioxobutan-2-yloxy)ethoxy]-2-oxobutanal
English name: bikethoxal
Molecular formula: C10H14O6
Molecular weight: 230.21456

Names & synonyms

Bikethoxal84031-85-6Ethylene glycol bis(3-(2-ketobutyraldehyde)ether)RefChem:1197953-[2-(3,4-dioxobutan-2-yloxy)ethoxy]-2-oxobutanal3,3'-[ethane-1,2-diylbis(oxy)]bis(2-oxobutanal)DTXSID501004323Butanal, 3,3'-(1,2-ethanediylbis(oxy))bis(2-oxo-

Database identifiers

CAS: 84031-85-6
PubChem CID: 134685
DTXSID: DTXSID501004323

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 86.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 16
Formal charge: 0
Complexity: 244

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