3-Ethyl-2-methylpentane

CAT: 0024-sc-486816Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-486816Size:5 mL

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CAS Number

609-26-7

Chemical Information

3-Ethyl-2-methylpentane

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

CAS Number	609-26-7
PubChem CID	11863
IUPAC Name	3-ethyl-2-methylpentane
Molecular Formula	C8H18
Molecular Weight	114.23
XLogP	4
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	42

SMILES

CCC(CC)C(C)C

InChI

InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3

InChIKey

DUPUVYJQZSLSJB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 609-26-7

CID: 11863

Formula: C8H18

MW: 114.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.23
XLogP3	4
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	42
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
sc-486815	3-Ethyl-3-methylpentane
sc-256204	2-Methylpentane
sc-256538	3-Methylpentane
sc-256205	2-Methylpentane-d14
sc-231587	3-Chloro-3-methylpentane
sc-259716	2-Bromoperfluoro (2-methylpentane)
sc-487013	1-Chloro-2-methylpentane
sc-507063	Perfluoro (2-iodo-2-methylpentane)
sc-273641	1,5-Dibromo-3-methylpentane
sc-474795	3-Methylpentane-1,3,5-triol

Catalog	Name
OR1077364	3-Ethyl-2-methylpentane
OR1065653-01	3-Ethyl-3-methylpentane
RG-E140169-01	2-ethyl-4-methylpentane-1,3-diol
ZZB34930-01	3-Methylpentane-2-sulfonamide
PC6474	3-Methoxyperfluoro (2-methylpentane)
XZB15574-01	2-Methylpentane-3-sulfonamide
M24360-01	3-Methylpentane
AR-H01253-01	2-Methylpentane
AR-P30706-01	3-Chloro-2-Methylpentane
HY-W210953S-01	3- (Bromomethyl) -2-methylpentane-d7