Acetone dimethyl acetal

CAT: 0127-OR17208-01Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0127-OR17208-01Size:100 mL

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CAS Number

77-76-9

Synonyms

2,2-Dimethoxypropane

MDL Number

MFCD00008479

Purity

98%

Smiles

COC(C)(C)OC

Chemical Information

2,2-Dimethoxypropane

dehydrating agent in electron microscopy specimen preparation; structure

CAS Number	77-76-9
PubChem CID	6495
IUPAC Name	2,2-dimethoxypropane
Molecular Formula	C5H12O2
Molecular Weight	104.15
XLogP	0.6
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	44

SMILES

CC(C)(OC)OC

InChI

InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3

InChIKey

HEWZVZIVELJPQZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77-76-9

CID: 6495

Formula: C5H12O2

MW: 104.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.15
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	104.083729621
Monoisotopic Mass	104.083729621
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	44
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
OR1078293-01	Acetone Dibutyl Acetal
OR1078826-01	Dimethyl Acetal
OR80253-01	Benzyloxyacetaldehyde dimethyl acetal
OR937730-01	Propionaldehyde dimethyl acetal
OR3467-01	Benzaldehyde dimethyl acetal
OR6010	Citral dimethyl acetal
OR1077704	Dodecanal Dimethyl Acetal
OR4745-01	Aminoacetaldehyde dimethyl acetal
OR1014453-01	Nonanal Dimethyl Acetal
OR1022167	Isothiocyanatoacetaldehyde dimethyl acetal

Catalog	Name
073905-01	2,2’-Dimethoxy Propane for Synthesis (Acetone Dimethyl Acetal)
sc-472142	Acetone Dibutyl Acetal
M01113-01	Malonaldehyde (ethylmethyl Acetal) (dimethyl Acetal)
FB10074-01	Benzaldehyde dimethyl acetal
HY-W751322	α-Amylcinnamaldehyde dimethyl acetal
380478	Hydrangenoside A dimethyl acetal
TRC-A673205-1G	Anisaldehyde Dimethyl Acetal
TRC-G616495-25ML	Glycinal Dimethyl Acetal
MBS5763088	Secologanin dimethyl acetal
sc-269221	Glycolaldehyde dimethyl acetal