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(11E)-11-Hexadecenal

CAT: 0572-TRC-H293705-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H293705-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57491-33-5
Hazard Statement
No Data Available
Smiles
CCCC\C=C\CCCCCCCCCC=O
Molecular Formula
C16 H30 O
Molecular Weight
238.409
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5+
Additionnal Information
IUPAC name: (E)-hexadec-11-enal
Shipping Conditions
Room Temperature

Chemical Information

11-Hexadecenal

11-hexadecenal has been reported in Diatraea saccharalis and Heliothis maritima with data available.

CAS Number57491-33-5
PubChem CID5283376
IUPAC Name(E)-hexadec-11-enal
Molecular FormulaC16H30O
Molecular Weight238.41
XLogP6.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count17
Formal Charge0
Complexity172
SMILES
CCCC/C=C/CCCCCCCCCC=O
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5+
InChIKey
AMTITFMUKRZZEE-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of 11-Hexadecenal
CAS: 57491-33-5
CID: 5283376
Formula: C16H30O
MW: 238.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.41
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass238.229665576
Monoisotopic Mass238.229665576
Topological Polar Surface Area17.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity172
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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CatalogName
411827-01(11E) -11-Hexadecenal
HY-W127507-01Cis-11-Hexadecenal
469056-01(Z) -11-Hexadecenal
440552-01(9E, ​11E) ​-9, ​11-​Octadecadienoic Acid
ACA76779-01(9Z,11E) -9,11-Tetradecadienol acetate
HY-W745644(Z) -7-Hexadecenal
278893-01(E) -2-Hexadecenal
NAA05852-01(9Z,11E) -Methyl ester 9,11-octadecadienoate
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