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
   -3.2824   -0.8798    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    0.0430   -0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980    0.1552    0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1206    1.1286   -0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980    1.3275    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690    2.5268    0.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0975    0.2070    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110    0.3878    0.8471 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7833   -1.0898   -0.0692 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270   -2.1902    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8493   -0.2824    0.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736   -1.6830    0.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9746   -1.3734   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -0.2964   -1.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7049    1.0860   -0.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4916   -0.8185    0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1559    0.5591    1.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511    2.0713   -0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0227    0.6387   -1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    3.3816    0.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316    2.6898    0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6278   -1.9205    0.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882   -2.7712   -0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976   -2.8969    0.7995 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