Monomers

Ethyl 3-oxopent-4-enoate

Identifiers

IUPAC name
ethyl 3-oxopent-4-enoate
InchI
InChI=1S/C7H10O3/c1-3-6(8)5-7(9)10-4-2/h3H,1,4-5H2,2H3
InchI Key
IEZWUJDDYLWKEP-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(=O)C=C
Canonical SMILES
CCOC(=O)CC(=O)C=C
Isomeric SMILES
CCOC(=O)CC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O3
Heavy Atom Count
10
Molecular Weight
142.154
Exact Molecular Weight
142.063
Valence Electrons
56
Radical Electrons
0
tPSA
43.37
MolLogP
0.6947
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 20 19  0  0  0  0  0  0  0  0999 V2000
    3.9317   -0.2803   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6371    0.3863   -0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026    0.0936    0.3949 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3484    0.6082    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1961    1.3147   -0.9002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8563    0.4208    0.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9248   -0.1033    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7223   -0.3169   -1.1783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2736   -0.3796    0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2306   -0.8458   -0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5617   -0.2771   -1.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -1.3369    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4954    0.2320    0.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3876    0.0634   -1.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430    1.4764   -0.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7462   -0.2275    1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2319    1.4498    1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5070   -0.1976    1.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2012   -1.0403    0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0379   -1.0400   -1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  6 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers