Home Other Building Blocks 101268-55-7
101268-55-7,MFCD00845709
Catalog No.:AA00040Y
101268-55-7 | Diethyl 2-allyl-2-(prop-2-ynyl)malonate
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250mg
95%
1 week  
$200.00   $140.00
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1g
95%
1 week  
$599.00   $419.00
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Technical Information
Catalog Number:
AA00040Y
Chemical Name:
Diethyl 2-allyl-2-(prop-2-ynyl)malonate
CAS Number:
101268-55-7
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
MDL Number:
MFCD00845709
IUPAC Name:
diethyl 2-prop-2-enyl-2-prop-2-ynylpropanedioate
InChI:
InChI=1S/C13H18O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h1,6H,2,7-10H2,3-4H3
InChI Key:
WTLVSRZNPGZLSM-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)OCC)(C(=O)OCC)CC#C
Properties
Computed Properties
 
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
diethyl 2-allyl-2-(prop-2-ynyl)malonate 
101268-55-7 
SCHEMBL5820577 
WTLVSRZNPGZLSM-UHFFFAOYSA-N 
ZINC34592010 
Allylpropargylmalonic acid diethyl ester 
Propanedioic acid, 2-(2-propen-1-yl)-2-(2-propyn-1-yl)-, 1,3-diethyl ester 
CID10988319 
Diethyl 2-prop-2-enyl-2-prop-2-ynyl-propanedioate 
Literature
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