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
   -2.6096   -0.0959    1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1954    0.1617   -0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7426    0.4528   -0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1480   -0.6292    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2674   -1.8196    0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775   -0.3480    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672   -1.2175    0.4796 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0942    0.8808   -0.2825 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4564    1.2125   -0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2626   -0.9995    1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1566    0.7957    1.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7719   -0.2428    1.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7351    1.0732   -0.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4883   -0.6728   -1.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    1.3964    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4562    0.6667   -1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4467   -2.5588    0.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926   -2.1511    0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    1.8536   -1.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1256    0.3486   -0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041    1.8931    0.6215 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