Monomers

Methyl 2-methylidenepentanoate

Identifiers

IUPAC name
methyl 2-methylidenepentanoate
InchI
InChI=1S/C7H12O2/c1-4-5-6(2)7(8)9-3/h2,4-5H2,1,3H3
InchI Key
QLXPVMDADJJSOC-UHFFFAOYSA-N
SMILES
CCCC(=C)C(=O)OC
Canonical SMILES
CCCC(=C)C(=O)OC
Isomeric SMILES
CCCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
H Bond Acceptors
2
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.0805    0.8212    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0804   -0.3142    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6843    0.2049   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3383   -0.8567   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0436   -2.1124    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -0.4875   -0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6739   -1.3355   -0.1633 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212    0.8389   -0.3323 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4727    1.2311   -0.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239    1.5646    0.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1178    1.2628   -0.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0719    0.3979    0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2095   -0.8386    1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814   -1.0139   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5505    0.8223   -0.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911    0.9131    0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020   -2.9298    0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0945   -2.3367    0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0692    0.9964    0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9226    0.8262   -1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847    2.3459   -0.5555 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  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  5 17  1  0
  5 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers