3-Methoxy-2,2-dimethylpropanal

CAT: 0926-BBA25486-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BBA25486-01Size:50 mg

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CAS Number

26254-86-4

MDL Number

MFCD21608362

Smiles

CC (C) (COC) C=O

Molecular Formula

C6H12O2

Molecular Weight

116.16 g/mol

Controlled

Chemical Information

3-Methoxy-2,2-dimethylpropionaldehyde

CAS Number	26254-86-4
PubChem CID	3015262
IUPAC Name	3-methoxy-2,2-dimethylpropanal
Molecular Formula	C6H12O2
Molecular Weight	116.16
XLogP	0.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	76

SMILES

CC(C)(COC)C=O

InChI

InChI=1S/C6H12O2/c1-6(2,4-7)5-8-3/h4H,5H2,1-3H3

InChIKey

MSUXOWPAVUXNMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26254-86-4

CID: 3015262

Formula: C6H12O2

MW: 116.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.16
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	116.083729621
Monoisotopic Mass	116.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.6
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
FH147438-01	3-Hydroxy-2,2-dimethylpropanal
JCD40230-01	3-Cyclopropyl-2,2-dimethylpropanal
GWC58614-01	3,3-Difluoro-2,2-dimethylpropanal
DLA61508-01	3- (2-Bromophenyl) -2,2-dimethylpropanal
UFA68167-01	3-[ (tert-Butyldimethylsilyl) oxy]-2,2-dimethylpropanal
WDA51605-01	3-[Benzyl (methyl) amino]-2,2-dimethylpropanal
LKA52887-01	1-Bromo-3-methoxy-2,2-dimethylpropane
HCA02167-01	3-Methoxy-2,2-dimethylpropan-1-ol
JJC31786-01	3-Methoxy-2,2-dimethylpropane-1-sulfonamide
GCA67988	3-Methoxy-2-naphthaldehyde

Catalog	Name
426233-01	3-Methoxy-2,2-dimethylpropanal
425941-01	3-Hydroxy-2,2-dimethylpropanal
OR46639-01	3- (Dimethylamino) -2,2-dimethylpropanal
sc-288809	3- (diethylamino) -2,2-dimethylpropanal
TRC-C230081-100MG	3-cyclobutyl-2,2-dimethylpropanal
OR28610-01	2,2-Dimethylpropanal
OR1054142	3- (Benzyloxy) -2,2-dimethylpropanal
sc-496768	3- (4-Ethylphenyl) -2,2-dimethylpropanal
TRC-E679640-100G	3-(4-Ethylphenyl)-2,2-dimethylpropanal
sc-288961	3-azepan-1-yl-2,2-dimethylpropanal