Products for Research Use Only
RegisterLogin

Sedanolide

CAT: 0607-C5661-50Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-C5661-50Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
mosquitocidal, nematicidal, and antifungal
CAS Number
6415-59-4
Product Name Alternative
3-butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone
Field of Research
Microbiology & Virology Antifungal
Purity
≥ 95.00%
Solubility
insoluble in H2O; ≥52.8 mg/mL in EtOH; ≥6.65 mg/mL in DMSO
Smiles
O=C1OC(CCCC)C2CCCC=C21
Molecular Formula
C12H18O2
Molecular Weight
194.3
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Sedanolide

Sedanolide is a member of 2-benzofurans.

CAS Number6415-59-4
PubChem CID5018391
IUPAC Name3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one
Molecular FormulaC12H18O2
Molecular Weight194.27
XLogP3.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity255
SMILES
CCCCC1C2CCCC=C2C(=O)O1
InChI
InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3
InChIKey
UPJFTVFLSIQQAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sedanolide
CAS: 6415-59-4
CID: 5018391
Formula: C12H18O2
MW: 194.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.27
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass194.130679813
Monoisotopic Mass194.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FS41667-01Sedanolide
361887Trans-Sedanolide

Popular Products