(±)-2,6-Dimethyl-5-heptenal

C₉H₁₆OCAS 106-72-9140.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₆O
Molar mass: 140.23 g/mol
Exact mass: 140.1201 Da
Boiling point: 70–75 °C (at 15 Torr)
logP: 2.57Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

106-72-9

SMILES

CC(C)=CCCC(C)C=O

InChIKey

YGFGZTXGYTUXBA-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3

Weigh it out

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

Names and synonyms

5 names

5-Heptenal, 2,6-dimethyl-
2,6-Dimethyl-5-heptenal
Melonal
2,6-Dimethyl-5-hepten-1-al
NSC 78450

Work with (±)-2,6-Dimethyl-5-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

Same formula

Cyclohexylacetone103-78-6 1-(2-Propen-1-yl)cyclohexanol1123-34-8 3-Nonen-2-one14309-57-0 2-Nonenal18829-56-6 3,6-Dimethyl-1-heptyn-3-ol19549-98-5 4-Methyl-1-octyn-4-ol22128-43-4 cis-6-Nonenal2277-19-2 2,2,6-Trimethylcyclohexanone2408-37-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook