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3-Methyl-5-[2,6,6-trimethyl-1-(cyclohexen-[d5])-1-yl]-penta-2,4-dienenitrile

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Application Area

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

3-Methyl-5-[2,6,6-trimethyl-1-(cyclohexen-[d5])-1-yl]-penta-2,4-dienenitrile

Name: 3-Methyl-5-[2,6,6-trimethyl-1-(cyclohexen-[d5])-1-yl]-penta-2,4-dienenitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-007724
CAS: 1185235-72-6
Molecular Formula: C15H16D5N
Molecular Weight: 220.36

Chemical Structure

Description	A labelled analogue of 2,4-Pentadienenitrile, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl).
Synonyms	3-Methyl-5-[(2,6,6-trimethyl,7-d5)-1-enyl]penta-2,4-dienenitrile; (2E,4E)-3-methyl-5-[2-(D3)methyl-6,6-dimethyl(3,3-D2)cyclohex-1-en-1-yl]penta-2,4-dienenitrile
IUPAC Name	(2E,4E)-5-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3-methylpenta-2,4-dienenitrile
Related CAS	19834-52-7 (unlabelled)
Isomeric SMILES	[2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C#N)/C)(C)C)[2H]
Canonical SMILES	CC1=C(C(CCC1)(C)C)C=CC(=CC#N)C
InChI	InChI=1S/C15H21N/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9H,5-6,10H2,1-4H3/b8-7+,12-9+/i2D3,6D2
InChI Key	YOYODHNOTKUUDY-HIHBUKCVSA-N
Purity	>98%
Solubility	Soluble in Dichloromethane, Ether, Ethyl Acetate, Hexane
Appearance	Pale Yellow Oil