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Butyl ricinoleate

CAT: 0013-GTR19245262-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19245262-01Size:100 mg
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Description
Butyl ricinoleate is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
151-13-3
Smiles
CCCCCC[C@H] (C/C=C\CCCCCCCC (=O) OCCCC) O
Molecular Formula
C22H42O3
Molecular Weight
354.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Butyl ricinoleate
CAS Number151-13-3
PubChem CID5354175
IUPAC Namebutyl (Z,12R)-12-hydroxyoctadec-9-enoate
Molecular FormulaC22H42O3
Molecular Weight354.6
XLogP7.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count19
Heavy Atom Count25
Formal Charge0
Complexity312
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCCC)O
InChI
InChI=1S/C22H42O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h12,15,21,23H,3-11,13-14,16-20H2,1-2H3/b15-12-/t21-/m1/s1
InChIKey
HGWAKQDTQVDVRP-OKULMJQMSA-N
Chemical Structure
2D Structure
2D structure of Butyl ricinoleate
CAS: 151-13-3
CID: 5354175
Formula: C22H42O3
MW: 354.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.6
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count19
Exact Mass354.31339520
Monoisotopic Mass354.31339520
Topological Polar Surface Area46.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TYD-01005-01Butyl ricinoleate
B30710-01N-Butyl ricinoleate
HY-W013222Ethyl ricinoleate
RG-A261152-01Methyl Ricinoleate
MBS394687-01Sodium Ricinoleate
L04440Lithium ricinoleate
FZ30839-01Zinc ricinoleate
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C01810-01Calcium ricinoleate
P23760Potassium ricinoleate

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