(E)-2-(4-methylpent-3-enyl)but-2-enedial

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Basic information

CAS: 121325-68-6
Standard SMILES: CC(C)=CCC/C(C=O)=C\C=O
InChIKey: RZUYNBNUYOKGPO-UXBLZVDNSA-N
Molecular formula: C10H14O2
Average molar mass: 166.22 g/mol
Monoisotopic mass: 166.09937969

Overview

(2E)-2-(4-methylpent-3-en-1-yl)but-2-enedial has been reported in Tyrophagus perniciosus with data available.

Names & identifiers

Preferred name: (E)-2-(4-methylpent-3-enyl)but-2-enedial
IUPAC: (E)-2-(4-methylpent-3-enyl)but-2-enedial

Names & synonyms

(E)-2-(4-methylpent-3-enyl)but-2-enedial121325-68-6alpha-Acaridialalpha-(E)-Acaridial2-Butenedial, 2-(4-methyl-3-pentenyl)-, (E)-SCHEMBL13010332(e)-(4-methyl-3-pentenyl)-butenedial

Database identifiers

CAS: 121325-68-6
PubChem CID: 6442437
Nikkaji: J514.347K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 208

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Compound notes

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