3-Ethylhexane

CAT: 1299-RG-E082515-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E082515-02Size:25 mg

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CAS Number

619-99-8

Synonyms

3-ethylhexane

Molecular Formula

C8H18

Molecular Weight

114.23

Product Name Synonym

3-ethylhexane

Chemical Information

3-Ethylhexane

3-Ethylhexane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. (L1296)

CAS Number	619-99-8
PubChem CID	12096
IUPAC Name	3-ethylhexane
Molecular Formula	C8H18
Molecular Weight	114.23
XLogP	4.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	35

SMILES

CCCC(CC)CC

InChI

InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3

InChIKey

SFRKSDZMZHIISH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 619-99-8

CID: 12096

Formula: C8H18

MW: 114.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.23
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	114.140850574
Monoisotopic Mass	114.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	35.3
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-E200861-01	2-Ethylhexane-1,3-Diol
RM-E200873-01	(2R,3R) -2-Ethylhexane-1,3-Diol
RM-E200870-01	(2S,3S) -2-Ethylhexane-1,3-Diol
RM-E200872-01	(2R,3S) -2-Ethylhexane-1,3-Diol
RM-E200871-01	(2S,3R) -2-ethylhexane-1,3-diol (controlled substance)
RM-E581402-01	2-Ethylhexanal
RG-F122148-01	3- (3-Fluorophenyl) -3-Oxopropanenitrile
RG-D090525-01	3,3-Diethoxypropanenitrile
RG-E140863-01	3,3'-bipyridine
RG-A262872-01	3,3′-Biphthalide