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
   -3.1597   -0.6880   -0.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1823   -1.8141   -1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7485   -1.3015   -1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660   -0.4084   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8883    0.1671   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942   -0.1164   -1.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.0488    0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6064    1.3310    1.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6231    1.5745    0.8872 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1047    2.4475    1.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5298   -0.5419    0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0745   -0.9847   -1.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7692    0.2590   -1.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124   -2.4837   -1.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461   -2.4346   -0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6535   -0.7490   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450   -2.1584   -1.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2278    0.4006   -0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5981   -1.0691    0.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6888    0.2965   -1.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758   -0.7694   -1.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8811    3.0902    1.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2895    3.0703    2.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6112    1.8338    2.6837 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