(E)-Hexadec-11-enal

(E)-Hexadec-11-enal
Compound Structure:
Synonyms: (E)-Hexadec-11-enal;11-Hexadecenal;(e)-11-hexadecenal;11-Hexadecenal, (11E)-; E-11-Hexadecenal
Compound ID: NMPC-043
PubChem ID:

5283376

Molecular Formula: C16H30O
Canonical SMILES: CCCCC=CCCCCCCCCCC=O
InChIKey: AMTITFMUKRZZEE-AATRIKPKSA-N
About the compound:

(E)-Hexadec-11-enal has a carbon chain that's sixteen carbons long with a double bond between the 11th and 12th carbons (counting from the aldehyde end) in the trans (E) configuration. At one end, it has an aldehyde functional group (CHO). Like many long-chain aldehydes, this compound would likely have a waxy or soapy odor. The presence of the double bond provides potential reactivity under certain conditions. Specific information on the natural occurrence of this particular aldehyde might be sparse. However, long-chain aldehydes can be found in certain natural fats and oils, especially as minor constituents or as degradation products of unsaturated lipids. Flavor and Fragrance Industry: Depending on its aroma profile, (E)-Hexadec-11-enal could find utility in the flavor and fragrance industry. Chemical Intermediate: Like other aldehydes, (E)-Hexadec-11-enal could be a useful intermediate in organic synthesis due to its functional group. Aldehydes can be converted into a variety of other functional groups, which makes them versatile starting materials in the realm of synthetic chemistry.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

238.41 g/mol

XLogP3-AA

6.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

13

Exact Mass

238.229665576 g/mol

Monoisotopic Mass

238.229665576 g/mol

Topological Polar Surface Area

17.1²

Heavy Atom Count

17

Formal Charge

0

Complexity

172

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

Source Species: Napoleonaea imperialis
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