3- (Methoxymethyl) -5-methylhexan-2-one

CAT: 0926-UCA84359-02Size: 0.5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-UCA84359-02Size:0.5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

69843-59-0

MDL Number

MFCD24702484

Smiles

CC (C) CC (COC) C (=O) C

Molecular Formula

C9H18O2

Molecular Weight

158.2 g/mol

Controlled

Chemical Information

3-(Methoxymethyl)-5-methylhexan-2-one

CAS Number	69843-59-0
PubChem CID	12474851
IUPAC Name	3-(methoxymethyl)-5-methylhexan-2-one
Molecular Formula	C9H18O2
Molecular Weight	158.24
XLogP	1.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

CC(C)CC(COC)C(=O)C

InChI

InChI=1S/C9H18O2/c1-7(2)5-9(6-11-4)8(3)10/h7,9H,5-6H2,1-4H3

InChIKey

IMQSFQFQLRIGIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69843-59-0

CID: 12474851

Formula: C9H18O2

MW: 158.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.24
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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

Catalog	Name
SBA13704-01	5-Hydroxy-5-methylhexan-2-one
ABA38938-01	1-Chloro-5-methylhexan-2-one
AAA92248-01	6-Chloro-2-methylhexan-3-one
HEA32380-01	1-Chloro-5-methylhexan-2-ol
QJC32642-01	5- (Methoxymethyl) -5-methyl-1,3-oxazolidin-2-one
GLB07534-01	3-Amino-5-methylhexan-1-ol
FJB47552-01	3-Methylhexan-2-amine hydrochloride
YFA52027-01	3- (Methoxymethyl) pyrrolidin-2-one
SMC02149-01	3- (Methoxymethyl) azepan-2-one
EEC95215-01	3- (Aminomethyl) -5-methylhexan-1-ol

Catalog	Name
TRC-M263610-5MG	5-Methoxymethyl-2'-deoxyuridine
296333-01	2- (Methoxymethyl) -5-pyrimidinecarbaldehyde
159214	2- (Dimethoxymethyl) -5- (methoxymethyl) furan
PC1014069	2-Fluoro-5- (methoxymethyl) benzaldehyde
OR1097064-01	5-chloro-2- (methoxymethyl) benzaldehyde
OR1089319-01	2-chloro-5- (methoxymethyl) benzaldehyde
OR1090781-01	5-ethoxy-2- (methoxymethyl) benzaldehyde
sc-307891	2-Ethoxy-5- (methoxymethyl) benzaldehyde
OR1045254-01	5- (Methoxymethyl) thiazol-2-amine
OR1034996-01	5-Bromo-2- (methoxymethyl) thiazole