Products for Research Use Only
RegisterLogin

Decalin-1,4-dione

CAT: 0931-T31293-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T31293-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
4939-91-7
Target
Others
Related Pathways
Others
Bioactivity
Decalin-1,4-dione is a biochemical.
Smiles
O=C1CCC(=O)C2CCCCC12
Molecular Formula
C10H14O2
Molecular Weight
166.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Decalin-1,4-dione

RN given refers to cpd without isomeric designation

CAS Number4939-91-7
PubChem CID151235
IUPAC Name2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP1
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity196
SMILES
C1CCC2C(C1)C(=O)CCC2=O
InChI
InChI=1S/C10H14O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-8H,1-6H2
InChIKey
ZLPBWAJPTCJOGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decalin-1,4-dione
CAS: 4939-91-7
CID: 151235
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area34.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity196
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

Related Products

CatalogName
T31292Decalin
TYD-04612-014-Methylhexahydroisobenzofuran-1,3-dione
T37950-012- (Isopentylamino) naphthalene-1,4-dione
TYD-001111,4-Dioxacycloheptadecane-5,17-dione
TN9764-013,4-Dimethylcyclopentane-1,2-dione
T203943-012,2,6-Trimethylcyclohexane-1,4-Dione
Fr213062-011,3-DIAZA-SPIRO[4.4]NONANE-2,4-DIONE
T31334-01Decane-2,4-dione
TN11486-011- (2,4,5-Trimethoxyphenyl) propane-1,2-dione
TN26782,2,5,5-Tetramethylcyclohexane-1,4-dione

Alternative Products

CatalogName
GTR19223608-01Decalin-1,4-dione
10629-51Decalin
00931 00500Decalin 98% For Synthesis
54665-01Decalin (Decahydronaphthalene) pure, 98%
MCA38130-011,4-Dicyclopropylbutane-1,4-dione
OR1009263-011,4-Diphenylbutane-1,4-Dione
OR5393-01Naphthalene-1,4-dione
AQ BD AN32-01Anthracene-1,4-dione
OR5044-01Cyclohexan-1,4-dione
AR-P01539-01Phenanthrene-1,4-dione

Popular Products