1,2-Dimethoxypropane

CAT: 0926-HAA77885-03Size: 500 gDry Ice: NoHazardous: No

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CAT#:0926-HAA77885-03Size:500 g

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CAS Number

7778-85-0

MDL Number

MFCD00010331

Smiles

CC (COC) OC

Molecular Formula

C5H12O2

Molecular Weight

104.15 g/mol

Controlled

Chemical Information

Propylene glycol dimethyl ether

structure in first source

CAS Number	7778-85-0
PubChem CID	24509
IUPAC Name	1,2-dimethoxypropane
Molecular Formula	C5H12O2
Molecular Weight	104.15
XLogP	-0.1
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	37

SMILES

CC(COC)OC

InChI

InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3

InChIKey

LEEANUDEDHYDTG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7778-85-0

CID: 24509

Formula: C5H12O2

MW: 104.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.15
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	104.083729621
Monoisotopic Mass	104.083729621
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	37.1
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
HBA73070-01	1-Chloro-2,2-dimethoxypropane
AAA12638-01	1-Bromo-2,2-dimethoxypropane
IBA17072	2-Bromo-1,1-dimethoxypropane
LKB59328-01	2-Isocyanato-1,1-dimethoxypropane
BGD58711-01	2,3-Dimethoxypropane-1-sulfonamide
QDA32139-01	2-Bromo-1,3-dimethoxypropane
AZC96317-01	1,3-Dimethoxypropane-2-sulfonamide
DDA53134-01	1- (1,3-Dimethoxypropan-2-yl) piperazine
QIA45388-01	1,3-Dimethoxypropan-2-yl methanesulfonate
PEA26115-01	1,3-Dimethoxypropan-2-amine hydrochloride