Products for Research Use Only
RegisterLogin

Diethyl (2-pentyl) malonate

CAT: 0024-sc-268885Size: 10 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-268885Size:10 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
117-47-5

Chemical Information

1,3-Diethyl 2-(1-methylbutyl)propanedioate
CAS Number117-47-5
PubChem CID95449
IUPAC Namediethyl 2-pentan-2-ylpropanedioate
Molecular FormulaC12H22O4
Molecular Weight230.30
XLogP3.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity207
SMILES
CCCC(C)C(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C12H22O4/c1-5-8-9(4)10(11(13)15-6-2)12(14)16-7-3/h9-10H,5-8H2,1-4H3
InChIKey
RQFSNEWORATSCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Diethyl 2-(1-methylbutyl)propanedioate
CAS: 117-47-5
CID: 95449
Formula: C12H22O4
MW: 230.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.30
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass230.15180918
Monoisotopic Mass230.15180918
Topological Polar Surface Area52.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-311315Diethyl 2- (dimethylamino) malonate
sc-257340Diethyl malonate-2-13C
sc-311315ADiethyl 2- (dimethylamino) malonate
sc-353212Diethyl (2-nitrophenyl) malonate
sc-353212ADiethyl (2-nitrophenyl) malonate
sc-255090Diethyl 2- (2-cyanoethyl) malonate
sc-257341Diethyl malonate-d2
sc-210980Butyronitrile Diethyl Malonate
sc-268886Diethyl (2,4-dichlorophenyl) malonate
sc-268888Diethyl (2,5-difluorophenyl) malonate

Alternative Products

CatalogName
TRC-D444421-10MGDiethyl Malonate-2-13C
TRC-D244440-100MGDiethyl-2-(nitrosoamino)malonate
OR30384Diethyl 2- (dimethylamino) malonate
OR73263-01Diethyl 2- (aminomethylene) malonate
OR300758-01Diethyl 2- (phenylamino) malonate
FD142966-01Diethyl 2- (chloromethylene) malonate
OR84956Diethyl 2- (benzyloxy) malonate
AR-M03395-01Diethyl 2- (hydroxyimino) malonate
OR78483-01Diethyl 2- (methoxymethyl) malonate
OR1321-01Diethyl- (2-bromoethyl) malonate

Popular Products