Trans,cis-2,6-Nonadienal

C₉H₁₄OCAS 557-48-2138.21 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₉H₁₄O
Molar mass: 138.21 g/mol
Exact mass: 138.1045 Da
Density: 0.85–0.87 g/mL
Boiling point: 88 °C (at 10 Torr)
logP: 2.49Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation90.5% of notifiers
H317 May cause an allergic skin reaction92.7% of notifiers

Aggregated from 1,526 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P501

Identifiers

CAS number

557-48-2

SMILES

CC/C=CCC/C=C/C=O

InChIKey

HZYHMHHBBBSGHB-ODYTWBPASA-N

InChI

InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+

Weigh it out

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

Names and synonyms

10 names

2,6-Nonadienal, (2E,6Z)-
2,6-Nonadienal, (E,Z)-
2,6-Nonadienal, trans,cis-
(2E,6Z)-2,6-Nonadienal
trans-2,cis-6-Nonadienal
2-trans-6-cis-Nonadienal
(E,Z)-2,6-Nonadienal
(2E,6Z)-Nonadienal
(2E,6Z)-Nona-2,6-dienal
(E,Z)-2,6-Nonadien-1-al

Work with Trans,cis-2,6-Nonadienal

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

(E)-2-Pentenal1576-87-071 % similar 2,4-Heptadienal4313-03-558 % similar 2,4-Heptadienal5910-85-058 % similar trans-2-Hexenal6728-26-358 % similar (Z)-4-Heptenal6728-31-058 % similar trans-2-Heptenal18829-55-554 % similar (E)-2-Octenal2548-87-052 % similar 2-Nonenal18829-56-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Hydroxy-6,6-dimethyl-2-heptene-4-yne114311-70-5 2-Pentylfuran3777-69-3 Phorone504-20-1 2,3,4,5-Tetramethyl-2-cyclopentenone54458-61-6 2,4-Nonadienal5910-87-2 Nona-2,4-dienal6750-03-4 Triplal68039-49-6 1-(1-Propynyl)cyclohexanol697-37-0

Elsewhere

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