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
   -3.1652    0.5975   -0.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644   -0.3401   -0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151    0.3243   -0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050   -0.6626    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0521   -1.8717    0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200   -0.3176    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372   -1.1747    0.6391 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2105    0.9138   -0.1569 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6097    1.1688   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989    0.5200   -1.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0987    0.2416   -0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9889    1.6396   -0.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2676   -0.5807    0.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -1.2060   -0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5224    0.5802   -1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6886    1.2632    0.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0913   -2.2096    0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6946   -2.5763    0.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380    2.1866    0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864    1.0646   -1.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1311    0.4389    0.5658 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