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
   -3.3719    0.6143   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2113   -0.2298   -0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8987    0.4587   -0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2618   -0.3478    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0787   -1.5178    0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    0.2066   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7632    1.3235   -0.7247 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7461   -0.4765    0.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    0.1129   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6622    1.2733    0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2135   -0.0234   -0.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1050    1.2803   -1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158   -1.1883   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416   -0.3881    1.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7569    0.6288   -1.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    1.4628    0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9198   -2.1105    0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032   -1.9322    0.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0740    1.1462    0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7575   -0.4978    0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2253    0.2046   -1.1098 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