3,3-Dimethylhexane

CAT: 0127-OR1043717-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043717-02Size:25 g

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CAS Number

563-16-6

Purity

99%

Chemical Information

3,3-Dimethylhexane

3,3-dimethylhexane is an alkane that is hexane in which the two methylene hydrogens at position 3 have been replaced by methyl groups.

CAS Number	563-16-6
PubChem CID	11233
IUPAC Name	3,3-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	53

SMILES

CCCC(C)(C)CC

InChI

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

InChIKey

KUMXLFIBWFCMOJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 563-16-6

CID: 11233

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	53.1
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
OR1043588-01	2,3-Dimethylhexane
OR1043734-01	3,4-Dimethylhexane
OR1055643-01	3,3-Bis (methoxymethyl) -2,5-dimethylhexane
OR1043609-01	2,2-Dimethylhexane
OR1025087-01	2,5-Dimethylhexane
OR52416	2,4-Dimethylhexane
OR95796-01	N1, N6-Dimethylhexane-1,6-diamine
OR310336-01	2,5-Dichloro-2,5-dimethylhexane
OR936943-01	5,5-Dimethylhexane-2,4-dione
OR28601-01	2,5-Dimethylhexane-2,5-diol

Catalog	Name
sc-486760	3,3-Dimethylhexane
D487063	2,3-Dimethylhexane
sc-256585	3,4-Dimethylhexane
D40860	2,3-Dimethylhexane 97%
419844-01	2,3-Dimethylhexane (94%)
D40890	3 4-Dimethylhexane 94%
AQ A1 0026-01	3,4-dimethylhexane-3,4-diol
HY-W970781	2,5-Dimethylhexane-3,4-diol
TRC-B528505-250MG	2-Butyl-2-ethyl-3,5-dimethylhexane-1,3-diol
sc-256322	2,4-Dimethylhexane