1-Octadecene

1-Octadecene
Compound Structure:
Synonyms: 1-OCTADECENE;Octadec-1-ene;OCTADECENE;alpha-Octadecene;.alpha.-Octadecene;Octadecene-1;Octadecylene alpha-
Compound ID: NMPC-109
PubChem ID:

8217

Molecular Formula: C18H36
Canonical SMILES: CCCCCCCCCCCCCCCCC=C
InChIKey: CCCMONHAUSKTEQ-UHFFFAOYSA-N
About the compound:

1-Octadecene is a long-chain hydrocarbon and an alkene with the molecular formula CH2=CH(CH2)15CH3. It is one of several isomers of octadecene. This compound is classified as an alpha-olefin. Notably, 1-octadecene holds the distinction of being the longest alkene that remains in a liquid state at room temperature.

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

252.5 g/mol

XLogP3

10

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

15

Exact Mass

252.281701148 g/mol

Monoisotopic Mass

252.281701148 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

148

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

Physical Description

Liquid

Melting Point

17.5 deg C

Vapor Pressure

0.0000675 [mmHg]

Source: PubChem            

Source Species: Citrullus lanatus,
Klainedoxa gabonensis
Phyllanthus muellerianus
Synedrella nodiflora
Urena lobata
Download SDF