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
    3.8829   -0.0767    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896    0.5483    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4233   -0.5504    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0923    0.1244    0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -0.7992   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8232   -2.0969   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3892   -0.2401    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3704   -1.0238   -0.0620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6332    1.1145    0.1430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9066    1.6814    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1896   -0.0762   -0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8191   -1.0586    0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6144    0.5331    0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    1.0516    1.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601    1.3143   -0.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018   -1.1916   -0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -1.1591    0.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425    0.8227   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610    0.7666    0.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1598   -2.5314   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6888   -2.7395   -0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8001    2.7831    0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5428    1.2758    1.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4671    1.5278   -0.7791 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