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
   -2.9060   -1.0303   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5932   -0.6024    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9702    0.5107   -0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3182    0.9546    0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4703    2.1673    0.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4394    0.0421    0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2805   -1.1025   -0.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6816    0.3643    0.7981 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7011   -0.6117    0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8389    0.1230   -1.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5923   -1.3600    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3784   -0.1648   -0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655   -1.8455   -0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229   -1.4741    0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241   -0.2427    1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7079    1.3512   -0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3324    2.8918    0.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124    2.4906    1.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4882   -1.3618   -0.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6813   -0.1657    0.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7112   -1.1736    1.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416   -0.8875   -1.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047    0.2809   -2.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    0.8459   -2.2108 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