N-Octane

CAT: 1596-AR-M03506-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03506-02Size:25 Units

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CAS Number

111-65-9

Synonyms

N-Octane

Molecular Formula

C8H18

Molecular Weight

114.23

API Name

Miscellaneous

Chemical Information

Octane

Octane is a straight chain alkane composed of 8 carbon atoms. It has a role as a xenobiotic.

CAS Number	111-65-9
PubChem CID	356
IUPAC Name	octane
Molecular Formula	C8H18
Molecular Weight	114.23
XLogP	3.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Heavy Atom Count	8
Formal Charge	0
Complexity	25

SMILES

CCCCCCCC

InChI

InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

InChIKey

TVMXDCGIABBOFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-65-9

CID: 356

Formula: C8H18

MW: 114.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.23
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Exact Mass	114.140850574
Monoisotopic Mass	114.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	25
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

Catalog	Name
AR-M03136-01	Octane,2,2,7,7-tetramethyl
AR-A07742-01	2- (methylsulfonyl) -6-Azaspiro[3.4]octane
AR-R01416-01	8-methyl-8-azabicyclo[3.2.1]octane-3-thiol
AR-C02371-01	3-Hydroxy-1-azabicyclo[2.2.2]octane-3-methanol
AR-I03416-01	N- (Octylideneamino) Octan-1-Imine
AR-N01854-01	Ethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
AR-A07747-01	Ethyl 6- (phenylmethyl) -2-Oxa-6-Azaspiro[3.4]octane-8-Carboxylate
AR-O01213-01	N, N’, N’’, N’’’, N’’’’, N’’’’’-Hexaacetylchitohexaose
AR-O01212-01	N, N’, N’’, N’’’-Tetraacetylchitotetraose
AR-O01208-01	N, N', N'', N''', N'''-Pentaacetyl Chitopentaose