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
   -2.7784    0.4808    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9467    0.1211   -1.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -0.2908   -0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543    0.7886   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2116    1.9762   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.5171    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220    1.4227    0.7055 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2498   -0.7149    0.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5959   -0.9089    0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5578   -1.5194    0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2476    0.6186    0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3667    1.4006   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5830   -0.3191    0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4684   -0.6608   -1.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8691    0.9979   -1.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0264   -0.6096   -1.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2051    2.2654   -0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282    2.7479    0.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027    0.0771    0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1831   -1.4516   -0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556   -1.4768    1.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -2.4150   -0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649   -1.6972    0.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -1.3499    0.8699 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