3-Methyl-2-pentanone

CAT: 0024-sc-231835ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-231835ASize:25 g

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CAS Number

565-61-7

Chemical Information

3-Methylpentan-2-One

3-Methylpentan-2-one is a ketone.

CAS Number	565-61-7
PubChem CID	11262
IUPAC Name	3-methylpentan-2-one
Molecular Formula	C6H12O
Molecular Weight	100.16
XLogP	1.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	66

SMILES

CCC(C)C(=O)C

InChI

InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3

InChIKey

UIHCLUNTQKBZGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 565-61-7

CID: 11262

Formula: C6H12O

MW: 100.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.16
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	100.088815002
Monoisotopic Mass	100.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	66.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes