Monomers

Methyl 3-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 3-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
KUZGPOJHTGUYAO-UHFFFAOYSA-N
SMILES
CCC(C(=C)C(=O)OC)C
Canonical SMILES
CCC(C)C(=C)C(=O)OC
Isomeric SMILES
CCC(C)C(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
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

 24 23  0  0  0  0  0  0  0  0999 V2000
   -2.8287    0.3897   -1.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543    0.0386   -1.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0176   -0.6660    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4073   -1.0580    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970   -2.3424    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482   -0.0231    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0999    1.1839    0.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897   -0.2987    0.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    0.6660    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4101    0.1927    1.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3031    0.1514   -2.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3840   -0.2114   -0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9810    1.4604   -0.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231   -0.6192   -2.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223    0.9453   -1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6595   -1.5659    0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7402   -2.6160    0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0865   -3.0761    0.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186    1.5298   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7527    0.1369   -0.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0261    1.0655    1.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760   -0.4426    2.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1123    0.9603    0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311    0.6567    1.7432 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
  3 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 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
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers