Monomers

Methyl 2-methylidenehexanoate

Identifiers

IUPAC name
methyl 2-methylidenehexanoate
InchI
InChI=1S/C8H14O2/c1-4-5-6-7(2)8(9)10-3/h2,4-6H2,1,3H3
InchI Key
USUBUUXHLGKOHN-UHFFFAOYSA-N
SMILES
CCCCC(=C)C(=O)OC
Canonical SMILES
CCCCC(=C)C(=O)OC
Isomeric SMILES
CCCCC(=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
1.9058
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
   -3.0528    1.4321    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    0.4354   -0.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0429    0.0070   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3716   -0.9794   -0.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9143   -1.4774   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0656   -2.7679   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158   -0.5819   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0737   -1.0674    0.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.7877   -0.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0740    1.6373    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310    1.2840    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    2.4608   -0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764    1.3173    1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0411    0.9339   -1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9768   -0.4120   -0.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4589    0.9024    0.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3301   -0.4587    0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2092   -0.5405   -1.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580   -1.8370   -1.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598   -3.4832   -0.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9973   -3.1311    0.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7470    2.6681    0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    1.2311    0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7511    1.6395   -0.8544 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  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 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
  3 17  1  0
  4 18  1  0
  4 19  1  0
  6 20  1  0
  6 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