2,2-Dimethylhexane

CAT: 0127-OR1043609-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043609-01Size:2 g

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CAS Number

590-73-8

Purity

95%

Chemical Information

2,2-Dimethylhexane

2,2-Dimethylhexane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. (L1296)

CAS Number	590-73-8
PubChem CID	11551
IUPAC Name	2,2-dimethylhexane
Molecular Formula	C8H18
Molecular Weight	114.23
XLogP	4.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	47

SMILES

CCCCC(C)(C)C

InChI

InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3

InChIKey

FLTJDUOFAQWHDF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 590-73-8

CID: 11551

Formula: C8H18

MW: 114.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.23
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	114.140850574
Monoisotopic Mass	114.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	47.5
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
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OR28601-01	2,5-Dimethylhexane-2,5-diol
OR1037033	2,5-Dimethylhexane-2,5-diylbis (2-methylacrylate)
OR1043717-01	3,3-Dimethylhexane
OR936943-01	5,5-Dimethylhexane-2,4-dione
OR1043734-01	3,4-Dimethylhexane
OR1055643-01	3,3-Bis (methoxymethyl) -2,5-dimethylhexane