1-Octene

CAT: 1299-RG-A260468-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260468-02Size:25 mg

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CAS Number

111-66-0

Synonyms

1-Octene

Molecular Formula

C8H16

Molecular Weight

112.21

Product Name Synonym

1-Octene

Chemical Information

1-Octene

1-octene is an octene with an unsaturation C-1.

CAS Number	111-66-0
PubChem CID	8125
IUPAC Name	oct-1-ene
Molecular Formula	C8H16
Molecular Weight	112.21
XLogP	4.6
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	46

SMILES

CCCCCCC=C

InChI

InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3

InChIKey

KWKAKUADMBZCLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-66-0

CID: 8125

Formula: C8H16

MW: 112.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.21
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Exact Mass	112.125200510
Monoisotopic Mass	112.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	46
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
RG-P012000-01	Perfluoro-1 -Octane
RG-O200101-01	Sodium Octane-1-Sulfonate
RG-O032002-01	Octan-1-Ol
RG-E140257-01	1-oxa-6-azaspiro[3.4]octane
RG-E140306-01	1-oxa-2-azaspiro[2.5]octane
RG-D090113-01	1,4-Diazabicyclo[2.2.2]Octane
RG-A260106-01	1-Azabicyclo[3.2.1]Octan-6-One
RG-E140773-01	Exo-8-azabicyclo[3.2.1]octane-3-carbonitrile
RG-O032001-01	Octane
RG-C092013-01	Bis (trimethylaluminum) -1,4-diazabicyclo[2.2.2]octane adduct