Monomers

Methyl 4-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=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
    3.9074    1.0142   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5078    0.8560   -0.0105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0165   -0.3970    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269   -1.3312    0.4563 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5947   -0.6758    0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -1.8891    0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3605    0.4332    0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8064    0.0350    0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6273    1.3186    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2176   -0.9129   -0.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4529    0.4013    0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2329    2.0650   -0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2285    0.6474   -1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9561   -2.6543    0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8162   -2.1355    0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2178    0.9228   -0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1809    1.1928    1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0594   -0.3444    1.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966    2.2057    0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6270    1.2189    0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8149    1.4666   -0.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3596   -1.3486   -1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8541   -1.7136   -0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9024   -0.3753   -1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 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