Diethyl 2,2-dipropylmalonate

Chemical Information

Diethyl dipropylmalonate

CAS Number	6065-63-0
PubChem CID	80168
IUPAC Name	diethyl 2,2-dipropylpropanedioate
Molecular Formula	C13H24O4
Molecular Weight	244.33
XLogP	3.6
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	17
Formal Charge	0
Complexity	222

SMILES

CCCC(CCC)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C13H24O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-10H2,1-4H3

InChIKey

NNDOHYGFLASMFR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6065-63-0

CID: 80168

Formula: C13H24O4

MW: 244.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.33
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	244.16745924
Monoisotopic Mass	244.16745924
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	222
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
OR95620-01	Diethyl 2,2-dimethylmalonate
OR28663-01	Diethyl 2,2-diallylmalonate
OR1031838-01	Diethyl 2,2'-oxydiacetate
OR46029-01	Diethyl 2,2-dibromomalonate
PC3428-01	Diethyl 2,2-difluoromalonate
OR1053356-01	Diethyl 2,2-diisobutylmalonate
PC430245	Diethyl 2,2-difluoropentanedioate
OR1071885-01	Diethyl 2-oxopentanedioate
OR1038108-01	Diethyl 2-isobutyrylmalonate
OR10853-01	Diethyl 2-hydroxymalonate

Catalog	Name
AR-V01106-01	Diethyl 2,2-dipropylmalonate
abx186054-01	Diethyl dipropylmalonate
sc-268897	Diethyl 2,2-dimethoxyethylphosphonate
446794-01	Diethyl 2, 2'-Thiodiacetate
TRC-D444210-5G	Diethyl 2,2-Diethoxethylphosphonate
RG-D090504-01	Diethyl 2,2-Diallylmalonate
274660-01	Diethyl 2,2'-Thiodiglycolate
RG-D090515-01	Diethyl 2,2-Dimethylmalonate
RG-A262111-01	Diethyl 2,2-Dibutylmalonate
SBA39268-01	Diethyl 2-cyclopropylpropanedioate