Diethyl 2- (2-methylallyl) malonate

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CAS Number

1575-67-3

MDL Number

MFCD00663464

Smiles

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

Chemical Information

Diethyl 2-(2-methylallyl)malonate

CAS Number	1575-67-3
PubChem CID	240540
IUPAC Name	diethyl 2-(2-methylprop-2-enyl)propanedioate
Molecular Formula	C11H18O4
Molecular Weight	214.26
XLogP	2.6
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	15
Formal Charge	0
Complexity	227

SMILES

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

InChI

InChI=1S/C11H18O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h9H,3,5-7H2,1-2,4H3

InChIKey

XHPMGAMKZRNIIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1575-67-3

CID: 240540

Formula: C11H18O4

MW: 214.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.26
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	214.12050905
Monoisotopic Mass	214.12050905
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	227
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
OR1046688-01	Diethyl 2,2-bis (2-methylallyl) malonate
OR30384	Diethyl 2- (dimethylamino) malonate
OR300758-01	Diethyl 2- (phenylamino) malonate
OR73263-01	Diethyl 2- (aminomethylene) malonate
OR84956	Diethyl 2- (benzyloxy) malonate
OR1321-01	Diethyl- (2-bromoethyl) malonate
OR78483-01	Diethyl 2- (methoxymethyl) malonate
OR28758-01	Diethyl 2- (2-cyanoethyl) malonate
OR6546-01	Diethyl 2- (2-phenylethyl) malonate
OR29225	Diethyl 2- (2-thienylmethylidene) malonate

Catalog	Name
FAA30950-01	Diethyl 2-allyl-2- (2-methylallyl) malonate
D443733	Diethyl 2-allyl-2-(2-methylallyl)malonate
446785-01	Diethyl 2-allyl-2- (2-methylallyl) malonate discontinued
TRC-D444421-10MG	Diethyl Malonate-2-13C
TRC-D244440-100MG	Diethyl-2-(nitrosoamino)malonate
FD142966-01	Diethyl 2- (chloromethylene) malonate
sc-353212	Diethyl (2-nitrophenyl) malonate
sc-268885	Diethyl (2-pentyl) malonate
sc-311315	Diethyl 2- (dimethylamino) malonate
AR-M03395-01	Diethyl 2- (hydroxyimino) malonate