(Z)-4-Heptenal

C₇H₁₂OCAS 6728-31-0112.17 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₇H₁₂O
Molar mass: 112.17 g/mol
Exact mass: 112.0888 Da
Density: 0.843–0.855 g/mL
Boiling point: 42 °C (at 10 Torr)
logP: 1.93Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor14% of notifiers
H302 Harmful if swallowed86% of notifiers
H312 Harmful in contact with skin86% of notifiers
H317 May cause an allergic skin reaction86% of notifiers

Aggregated from 1,556 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P317, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

6728-31-0

SMILES

CC/C=CCCC=O

InChIKey

VVGOCOMZRGWHPI-ARJAWSKDSA-N

InChI

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-

Weigh it out

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

Names and synonyms

6 names

4-Heptenal, (4Z)-
4-Heptenal, (Z)-
(4Z)-4-Heptenal
cis-4-Heptenal
4-cis-Heptenal
(4Z)-Heptenal

Work with (Z)-4-Heptenal

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

cis-6-Nonenal2277-19-273 % similar cis-7-Decenal21661-97-270 % similar Trans,cis-2,6-Nonadienal557-48-258 % similar cis-4-Decenal21662-09-956 % similar trans-4-Decen-1-al65405-70-156 % similar Propionaldehyde123-38-650 % similar trans-3-Heptene14686-14-750 % similar 3-Hexene592-47-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3,4-Dimethyl-1-pentyn-3-ol1482-15-1 3-Heptyn-1-ol14916-79-1 3-Cyclohexene-1-methanol1679-51-2 Methylenecyclohexane oxide185-70-6 trans-2-Heptenal18829-55-5

Elsewhere

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