Jasmololone

CAT: 0931-TN8055-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TN8055-02Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

22054-39-3

Bioactivity

Jasmololone (compound 1c) is a reducible compound that undergoes oxidation with manganese dioxide to yield the corresponding diketone.

Smiles

O=C1C(=C(C)C(O)C1)CC=CCC

Molecular Formula

C11H16O2

Molecular Weight

180.24

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-Hydroxy-3-methyl-2-pent-2-enylcyclopent-2-en-1-one

CAS Number	22054-39-3
PubChem CID	601864
IUPAC Name	4-hydroxy-3-methyl-2-pent-2-enylcyclopent-2-en-1-one
Molecular Formula	C11H16O2
Molecular Weight	180.24
XLogP	1.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	261

SMILES

CCC=CCC1=C(C(CC1=O)O)C

InChI

InChI=1S/C11H16O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h4-5,10,12H,3,6-7H2,1-2H3

InChIKey

SVRKACAGHUZSGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22054-39-3

CID: 601864

Formula: C11H16O2

MW: 180.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.24
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	180.115029749
Monoisotopic Mass	180.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	261
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19237471-01	Jasmololone