Monomers

Ethyl 4-methyl-3-oxopent-4-enoate

Identifiers

IUPAC name
ethyl 4-methyl-3-oxopent-4-enoate
InchI
InChI=1S/C8H12O3/c1-4-11-8(10)5-7(9)6(2)3/h2,4-5H2,1,3H3
InchI Key
QWEOLZXJIXWQIA-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(=O)C(=C)C
Canonical SMILES
CCOC(=O)CC(=O)C(=C)C
Isomeric SMILES
CCOC(=O)CC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H12O3
Heavy Atom Count
11
Molecular Weight
156.181
Exact Molecular Weight
156.0786
Valence Electrons
62
Radical Electrons
0
tPSA
43.37
MolLogP
1.0848
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

 23 22  0  0  0  0  0  0  0  0999 V2000
   -4.0681    0.0016    0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644   -0.8189   -0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7879   -0.2190   -0.4547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0899   -0.0251    0.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112   -0.3956    1.7967 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2571    0.6000    0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797   -0.2195    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -1.3095   -0.4041 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636    0.2018    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0146    1.3433    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296   -0.6101   -0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0653   -0.1721   -0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8259    1.0877    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0652   -0.2687    1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0078   -1.8519   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4132   -0.9527   -1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    1.6066    0.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452    0.7071    1.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0258    1.7106    0.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2594    1.9727    1.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2730    0.0770   -1.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4471   -1.0507    0.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2355   -1.4146   -1.1755 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
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  6 17  1  0
  6 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers