Methyl-γ-ionone

C₁₄H₂₂OCAS 7388-22-9206.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₂O
Molar mass: 206.33 g/mol
Exact mass: 206.1671 Da
logP: 3.90Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

H412 Harmful to aquatic life with long lasting effects100% of notifiers

Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

7388-22-9

SMILES

C=C1CCCC(C)(C)C1C=C(C)C(C)=O

InChIKey

YQUFLLFXOARBNW-UHFFFAOYSA-N

InChI

InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,13H,1,6-8H2,2-5H3

Weigh it out

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

Names and synonyms

4 names

3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-
4-(2,2-Dimethyl-6-methylenecyclohexyl)-3-methyl-3-buten-2-one
Irisantheme
3-Methyl-4-(2,2-dimethyl-6-methylenecyclohexyl)-3-buten-2-one

Work with Methyl-γ-ionone

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

Atractylenolide I73069-13-332 % similar Atractylenolide II73069-14-431 % similar Caryophyllene87-44-530 % similar 3-Methyl-3-penten-2-one565-62-830 % similar

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

Same formula

8-Phenyl-1-octanol10472-97-6 3,5-Di-tert-butylphenol1138-52-9 Alpha-isomethyl ionone127-51-5 2,6-Di-tert-butylphenol128-39-2 Methylionone1335-46-2 4-tert-Octylphenol140-66-9 4-N-Octylphenol1806-26-4 Octylphenol27193-28-8

Elsewhere

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