2-Methyl-4-octanone

CAT: 0024-sc-275020Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-275020Size:5 g

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CAS Number

7492-38-8

Chemical Information

2-Methyl-4-octanone

2-Methyloctan-4-one is a ketone.

CAS Number	7492-38-8
PubChem CID	522566
IUPAC Name	2-methyloctan-4-one
Molecular Formula	C9H18O
Molecular Weight	142.24
XLogP	2.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	94

SMILES

CCCCC(=O)CC(C)C

InChI

InChI=1S/C9H18O/c1-4-5-6-9(10)7-8(2)3/h8H,4-7H2,1-3H3

InChIKey

ICSKJDZASFIJQK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7492-38-8

CID: 522566

Formula: C9H18O

MW: 142.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.24
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	142.135765193
Monoisotopic Mass	142.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	94.9
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-278253	5-Methyl-2-octanone
sc-489031	4-Octanone
sc-491105	8-Hydroxy-5-methyl-2-octanone
sc-238188	2-Octanone
sc-266645	3-Ethyl-4-octanone
sc-238611	3-Octanone
sc-503550	3-Bicyclo[3.2.1]octanone
sc-266973	3,5-Dimethyl-4-octanone, erythro + threo
sc-336465	4-Methyl-2-[ (4-methyl-pyridin-2-ylamino) -methyl]-phenol
sc-277507	4-Methyl-4-octanol

Catalog	Name
M23860	3-Methyl-4-Octanone
OR1078349-01	5-Methyl-2-octanone
M23850	2-Methyl-5-Octanone
TRC-D462240-1G	3-[(Dimethylamino)methyl]2-octanone
423447	3-[ (Dimethylamino) methyl]2-octanone
H949565	8-Hydroxy-5-methyl-2-octanone
TRC-O237905-1G	2-Octanone
S-2871	4-Octanone - 1ML
O01300-01	4-Octanone 98%
7207-49-0	2-Octanone oxime