2-Iodo-2-methylbutane

CAT: 0926-AAA59438-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-AAA59438-01Size:0.5 g

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CAS Number

594-38-7

MDL Number

MFCD00019029

Smiles

CCC (C) (C) I

Molecular Formula

C5H11I

Molecular Weight

198.05 g/mol

Controlled

Chemical Information

2-Iodo-2-methylbutane

CAS Number	594-38-7
PubChem CID	11665
IUPAC Name	2-iodo-2-methylbutane
Molecular Formula	C5H11I
Molecular Weight	198.05
XLogP	3.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	39

SMILES

CCC(C)(C)I

InChI

InChI=1S/C5H11I/c1-4-5(2,3)6/h4H2,1-3H3

InChIKey

NWRZTQFWFPLHHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 594-38-7

CID: 11665

Formula: C5H11I

MW: 198.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.05
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	197.99055
Monoisotopic Mass	197.99055
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	39.2
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
AAA61614	1-Iodo-2-methylbutane
AAA59797-01	2-Isothiocyanato-2-methylbutane
FC174812	1-Chloro-2-methylbutane
EJB46168-01	2-Methylbutane-1-sulfonamide
WIA24859-01	4-Iodo-2-methylbutan-2-ol
PZC01668-01	2-Methylbutane-2,3-diamine dihydrochloride
AAA53400	(S) - (+) -1-Bromo-2-methylbutane
FA29655-01	(S) - (+) -2-Amino-3-methylbutane
ECA75081-01	3-Methylbutane-1,2-diamine dihydrochloride
BBA35601-01	1-Bromo-2-methoxy-3-methylbutane