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Oleyl caprate

CAT: 0931-T33790-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T33790-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17673-51-7
Target
Others
Related Pathways
Others
Bioactivity
Oleyl caprate is a biochemical.
Smiles
O(C(CCCCCCCCC)=O)CCCCCCCC/C=C\CCCCCCCC
Molecular Formula
C28H54O2
Molecular Weight
422.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Decanoic acid, 9-octadecenyl ester, (Z)-
CAS Number17673-51-7
PubChem CID25022029
IUPAC Name[(Z)-octadec-9-enyl] decanoate
Molecular FormulaC28H54O2
Molecular Weight422.7
XLogP12.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count25
Heavy Atom Count30
Formal Charge0
Complexity362
SMILES
CCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C28H54O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-10-8-6-4-2/h14-15H,3-13,16-27H2,1-2H3/b15-14-
InChIKey
YDQHQURZVOIGHI-PFONDFGASA-N
Chemical Structure
2D Structure
2D structure of Decanoic acid, 9-octadecenyl ester, (Z)-
CAS: 17673-51-7
CID: 25022029
Formula: C28H54O2
MW: 422.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.7
XLogP312.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count25
Exact Mass422.412380961
Monoisotopic Mass422.412380961
Topological Polar Surface Area26.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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