2-Isopropyl-5-methyl-2-hexenal

C₁₀H₁₈OCAS 35158-25-9154.25 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₁₀H₁₈O
Molar mass: 154.25 g/mol
Exact mass: 154.1358 Da
Density: 0.8454 g/mL (at 20 °C)
Boiling point: 49.5–50 °C (at 3.5 Torr)
logP: 2.81Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

35158-25-9

SMILES

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

InChIKey

IOLQAHFPDADCHJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3

Weigh it out

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

Names and synonyms

6 names

2-Hexenal, 5-methyl-2-(1-methylethyl)-
2-Hexenal, 2-isopropyl-5-methyl-
5-Methyl-2-(1-methylethyl)-2-hexenal
2-Isopropyl-5-methyl-2-hexen-1-al
α-Isopropyl-β-isobutylacrolein
2-(1-Methylethyl)-5-methylhex-2-enal

Work with 2-Isopropyl-5-methyl-2-hexenal

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

5-Methyl-2-phenyl-2-hexenal21834-92-444 % similar Isovaleraldehyde590-86-341 % similar 2,6-Dimethyl-3-heptene2738-18-333 % similar (E)-2-Methyl-2-pentenal14250-96-531 % similar 2-Methyl-2-pentenal623-36-931 % similar 2,6-Dimethyl-3,5-heptanedione18362-64-631 % similar 4-Methyl-1-pentene691-37-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

P-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citronellal106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook