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(11E)-Hexadecenyl Acetate

CAT: 0572-TRC-H293708-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H293708-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56218-72-5
Hazard Statement
No Data Available
Smiles
CCCC\C=C\CCCCCCCCCCOC(=O)C
Molecular Formula
C18 H34 O2
Molecular Weight
282.461
InChI
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7H,3-5,8-17H2,1-2H3/b7-6+
Additionnal Information
IUPAC name: [(E)-hexadec-11-enyl] acetate
Shipping Conditions
Room Temperature

Chemical Information

(E)-11-Hexadecenyl acetate

11E-Hexadecenyl acetate is a carboxylic ester.

CAS Number56218-72-5
PubChem CID5352788
IUPAC Name[(E)-hexadec-11-enyl] acetate
Molecular FormulaC18H34O2
Molecular Weight282.5
XLogP6.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity234
SMILES
CCCC/C=C/CCCCCCCCCCOC(=O)C
InChI
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7H,3-5,8-17H2,1-2H3/b7-6+
InChIKey
BTKXLQSCEOHKTF-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of (E)-11-Hexadecenyl acetate
CAS: 56218-72-5
CID: 5352788
Formula: C18H34O2
MW: 282.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight282.5
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass282.255880323
Monoisotopic Mass282.255880323
Topological Polar Surface Area26.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity234
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