Diethyl 2,2-dimethylmalonate

CAT: 0127-OR95620-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR95620-01Size:5 g

Selected

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

Quick Request Actions

CAS Number

1619-62-1

MDL Number

MFCD00009128

Purity

98%

Smiles

O=C(OCC)C(C)(C)C(OCC)=O

Chemical Information

Diethyl dimethylmalonate

CAS Number	1619-62-1
PubChem CID	15382
IUPAC Name	diethyl 2,2-dimethylpropanedioate
Molecular Formula	C9H16O4
Molecular Weight	188.22
XLogP	1.8
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	13
Formal Charge	0
Complexity	176

SMILES

CCOC(=O)C(C)(C)C(=O)OCC

InChI

InChI=1S/C9H16O4/c1-5-12-7(10)9(3,4)8(11)13-6-2/h5-6H2,1-4H3

InChIKey

UELKSYXXNGHTSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1619-62-1

CID: 15382

Formula: C9H16O4

MW: 188.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.22
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	188.10485899
Monoisotopic Mass	188.10485899
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176
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
OR939629-01	Dimethyl 2,2-dimethylmalonate
OR28663-01	Diethyl 2,2-diallylmalonate
OR46029-01	Diethyl 2,2-dibromomalonate
PC3428-01	Diethyl 2,2-difluoromalonate
OR1031838-01	Diethyl 2,2'-oxydiacetate
OR95463-01	Diethyl 2,2-dipropylmalonate
OR1053356-01	Diethyl 2,2-diisobutylmalonate
PC430245	Diethyl 2,2-difluoropentanedioate
OR1038108-01	Diethyl 2-isobutyrylmalonate
OR1071885-01	Diethyl 2-oxopentanedioate

Catalog	Name
RG-D090515-01	Diethyl 2,2-Dimethylmalonate
sc-227842	Diethyl dimethylmalonate
D22060-01	Diethyl dimethylmalonate 99%
sc-268897	Diethyl 2,2-dimethoxyethylphosphonate
FD21775-01	Diethyl 2,2-diethoxethylphosphonate
RG-D090504-01	Diethyl 2,2-Diallylmalonate
446794-01	Diethyl 2, 2'-Thiodiacetate
AR-V01106-01	Diethyl 2,2-dipropylmalonate
274660-01	Diethyl 2,2'-Thiodiglycolate
RG-A262111-01	Diethyl 2,2-Dibutylmalonate