γ-Ionone

CAT: 1299-RM-I151405-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I151405-01Size:10 mg

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CAS Number

79-76-5

Synonyms

4- (2,2-dimethyl-6-methylenecyclohexyl) but-3-en-2-one

Molecular Formula

C13H20O

Molecular Weight

192.3

Target Alternative Name

Ionone

Product Name Synonym

4- (2,2-dimethyl-6-methylenecyclohexyl) but-3-en-2-one

Chemical Information

gamma-IONONE

Gamma-ionone is an ionone.

CAS Number	79-76-5
PubChem CID	5363741
IUPAC Name	(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-3-en-2-one
Molecular Formula	C13H20O
Molecular Weight	192.30
XLogP	3.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	271

SMILES

CC(=O)/C=C/C1C(=C)CCCC1(C)C

InChI

InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+

InChIKey

SFEOKXHPFMOVRM-BQYQJAHWSA-N

Chemical Structure

2D Structure

CAS: 79-76-5

CID: 5363741

Formula: C13H20O

MW: 192.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.30
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	192.151415257
Monoisotopic Mass	192.151415257
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	271
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes