Diethyl Cyclopentylmalonate

CAT: 0024-sc-278956Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-278956Size:200 mg

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CAS Number

18928-91-1

Chemical Information

1,3-Diethyl 2-cyclopentylpropanedioate

CAS Number	18928-91-1
PubChem CID	249269
IUPAC Name	diethyl 2-cyclopentylpropanedioate
Molecular Formula	C12H20O4
Molecular Weight	228.28
XLogP	3.1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	225

SMILES

CCOC(=O)C(C1CCCC1)C(=O)OCC

InChI

InChI=1S/C12H20O4/c1-3-15-11(13)10(12(14)16-4-2)9-7-5-6-8-9/h9-10H,3-8H2,1-2H3

InChIKey

WXPOKLNJWFXXQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18928-91-1

CID: 249269

Formula: C12H20O4

MW: 228.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.28
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	228.13615911
Monoisotopic Mass	228.13615911
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225
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
sc-485952	Dimethyl Cyclopentylmalonate
sc-202574A	Diethyl Pyrocarbonate
sc-257337	Diethyl ketomalonate
sc-257343	Diethyl oxalpropionate
sc-239742	Diethyl vinylphosphonate
sc-239738	Diethyl phthalate
sc-486313	Diethyl sulfite
sc-239729	Diethyl cyanomethylphosphonate
sc-357334	Diethyl cromoglycate
sc-234670	Diethyl suberate

Catalog	Name
OR1002904-01	Diethyl Cyclopentylmalonate
HDA49160	Dimethyl Cyclopentylmalonate
OR1053342-01	Dimethyl 2-cyclopentylmalonate
TRC-P359432-10MG	Diethyl phosphate-d10 (diethyl-d10)
D24360-01	Diethyl phosphonacetaldehyde diethyl acetal 98%
B9076	Butyronitrile Diethyl Malonate (Diethyl-3-cyanopropylmalonate)
070975	Diethyl Carbamyl Chloride (Diethyl Carbamoyl Chloride)
QAA30097-01	Diethyl acetoxyethylphosphonate
FD61056-01	Diethyl Chlorothiophosphate
FD21801-01	Diethyl phthalate