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
   -2.5951    1.9137    1.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3407    0.5336    0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8764    0.2199    0.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5810   -1.1355    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -1.5263    0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1477   -2.5983    0.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051   -0.7734   -0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1153   -1.1071   -0.4452 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3868   -1.2662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7044    1.1058   -1.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7124    2.5322    0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6643    1.8934    2.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4960    2.3742    0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7240    0.4457   -0.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261   -0.2043    1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3135    0.9684   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5884    0.3577    1.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8607   -1.1636   -1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126   -1.9070    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3662   -3.1635    1.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1567   -2.9720    0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695    1.7782   -1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3716    1.6637   -2.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    0.3775   -2.2130 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