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
   -4.0555    0.1755   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965    0.7856   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810   -0.2607   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860    0.4616   -0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8996   -0.3933   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7863   -1.6824    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2131    0.2127   -0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3791    1.4438   -0.4366 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3922   -0.5438   -0.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6706    0.0855   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6968    0.9309    0.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5374    0.0648   -1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0801   -0.7482    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5286    1.2669   -1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4807    1.5366    0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6824   -0.8036    0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810   -1.0297   -0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2107    1.2488    0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2802    0.9240   -1.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -2.2917    0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1988   -2.1099    0.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3486   -0.7100   -0.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0092    0.4955    0.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6237    0.9410   -0.9874 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