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
   -3.1176    0.7065    0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7196    0.1281    0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387   -0.0050   -0.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2270   -0.5610   -0.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718   -1.6875   -1.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3131    0.1327   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1128    1.2106    0.5769 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017   -0.3736   -0.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6094    0.3192    0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1422    1.5258   -0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4397    1.1141    1.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8356   -0.0589    0.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062   -0.8616    1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1095    0.7718    1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8368   -0.6541   -1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0795    1.0027   -1.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4830   -2.0925   -1.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3244   -2.1923   -1.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5326   -0.2982    0.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8806    1.2495    0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179    0.6238    1.6956 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