Cyclooctane

Compound Structure:

Synonyms:

Cyclooctane; CYCLOOCTANE; Octamethylene; Cyclooctan; 1,2-CYCLOOCTANE

Compound ID:

NMPC-928

PubChem ID:

Molecular Formula:

C8H16

Canonical SMILES:

C1CCCCCCC1

InChIKey:

WJTCGQSWYFHTAC-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

• H304 (25.23%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	112.21 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	112.125200510 g/mol
Monoisotopic Mass	112.125200510 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	24
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	Colorless liquid; mp = 14.8 deg C; [Alfa Aesar MSDS]

Source: PubChem

Source Species:

Strychnos innocua

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