Diethyl 3-Butenylmalonate

CAT: 1596-AR-M01046-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M01046-01Size:10 Units

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CAS Number

31696-00-1

Synonyms

Diethyl2- (but-3-en-1-yl) malonate; Diethyl 3-Butenylmalonate

Molecular Formula

C11H18O4

Molecular Weight

214.26

API Name

Malonate

Chemical Information

Diethyl 2-(3-butenyl)malonate

Diethyl 2-(3-butenyl)malonate is a fatty acid ester.

CAS Number	31696-00-1
PubChem CID	594682
IUPAC Name	diethyl 2-but-3-enylpropanedioate
Molecular Formula	C11H18O4
Molecular Weight	214.26
XLogP	2.4
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	15
Formal Charge	0
Complexity	205

SMILES

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

InChI

InChI=1S/C11H18O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h4,9H,1,5-8H2,2-3H3

InChIKey

SNZFLJWANPHXKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31696-00-1

CID: 594682

Formula: C11H18O4

MW: 214.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.26
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	214.12050905
Monoisotopic Mass	214.12050905
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	205
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
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AR-M03619-01	Diethyl methylphosphonite
AR-M03481	Diethyl sulfate
AR-E10522-01	Diethyl Sulfone

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