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11-Octadecenal

CAT: 0931-TN7919-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7919-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56554-95-1
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
11-Octadecenal, a volatile oil, is extracted from the antibacterial elements found in coumarin and can also be derived from synthetic insect sex pheromones designed to attract wax moths (Achroia grisella) .
Smiles
O=CCCCCCCCCCC=CCCCCCC
Molecular Formula
C18H34O
Molecular Weight
266.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

11-Octadecenal
CAS Number56554-95-1
PubChem CID5283382
IUPAC Name(E)-octadec-11-enal
Molecular FormulaC18H34O
Molecular Weight266.5
XLogP7.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity196
SMILES
CCCCCC/C=C/CCCCCCCCCC=O
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h7-8,18H,2-6,9-17H2,1H3/b8-7+
InChIKey
YSSVMXHKWSNHLH-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of 11-Octadecenal
CAS: 56554-95-1
CID: 5283382
Formula: C18H34O
MW: 266.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.5
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass266.260965704
Monoisotopic Mass266.260965704
Topological Polar Surface Area17.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity196
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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