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
   -3.2167    0.4957   -0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    0.3313    0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1076   -0.7997   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201   -0.8682   -0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7701   -1.9557    0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2436    0.2260   -0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9092    1.2817   -0.9429 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484    0.0823    0.0772 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4925    1.1166   -0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7013   -0.4343   -0.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121    1.2728   -1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7399    0.9252    0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384    1.2725   -0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6772    0.2272    1.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0595   -0.6317   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5599   -1.7732   -0.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7788   -2.0093    0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1096   -2.8059    0.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9669    2.0903   -0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402    0.9539   -1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894    1.0024    0.6145 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