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
   -2.5599   -1.3770    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909   -0.7471   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1013    0.5842    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    1.2740   -0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0198    2.4562   -0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4470    0.7096   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4467    1.3433   -0.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6892   -0.5314    0.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0005   -1.0383    0.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3689   -2.4283    0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9677   -0.8007    0.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3542   -1.4415   -0.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4370   -0.6056   -1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4548   -1.4455   -0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0665    0.4035    1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034    1.1875    0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430    2.9976   -1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778    2.9445   -0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444   -1.4113    1.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0909   -1.8348   -0.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100   -0.2389    0.3353 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