1-Hexadecyne

Compound Structure:

Synonyms:

1-hexadecyne; hexadec-1-yne;tetradecylacetylene;n-tetradecylacetylene; einecs 211-106-

Compound ID:

NMPC-082

PubChem ID:

12396

Molecular Formula:

C16H30

Canonical SMILES:

CCCCCCCCCCCCCCC#C

InChIKey:

UCIDYSLOTJMRAM-UHFFFAOYSA-N

About the compound:

1-Hexadecyne is a natural compound that can be found in various organisms, including Houttuynia cordata and Hamamelis virginiana. It is a member of the class of alkynes and contains a 16-carbon chain with a triple bond, making it a C-16 alkyne.

GHS Hazard Statements

• H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	222.41 g/mol
XLogP3-AA	7.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	12
Exact Mass	222.234750957 g/mol
Monoisotopic Mass	222.234750957 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Xylopia aethiopica

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