5-(1,3-Benzodioxol-5-yl)penta-2,4-dienal

C₁₂H₁₀O₃CAS 83047-59-0202.21 g/mol

Open in Covalent MOL file

Acetal Aldehyde Alkene Ether

Properties

Molecular formula: C₁₂H₁₀O₃
Molar mass: 202.21 g/mol
Exact mass: 202.0630 Da
logP: 2.18Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

83047-59-0

SMILES

C1OC2=C(O1)C=C(C=C2)C=CC=CC=O

InChIKey

JGTLDSRAUATRLK-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O3/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h1-8H,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-
5-(2H-1,3-Benzodioxol-5-yl)penta-2,4-dienal

Work with 5-(1,3-Benzodioxol-5-yl)penta-2,4-dienal

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

Piperonal120-57-061 % similar Isosafrole120-58-159 % similar 5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one7780-20-353 % similar Piperine94-62-253 % similar 5-(2-Nitroethenyl)-1,3-benzodioxole1485-00-353 % similar 3′,4′-Methylenedioxycinnamic acid2373-80-053 % similar Heliotropyl acetone3160-37-053 % similar Piperlonguminine5950-12-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-0 2-Naphthoxyacetic acid120-23-0 4-Methoxy-1-naphthalenecarboxylic acid13041-62-8 4,4′-Dihydroxydiphenyl ether1965-09-9 6-Methoxy-2-naphthoic acid2471-70-7 Naphthoxyacetic acid2976-75-2 6-Methoxy-1-naphthoic acid36112-61-5 6-Ethyl-3-formylchromone42059-78-9

Elsewhere

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