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
   -3.2142   -0.1037    0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9844   -0.4192   -0.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6352    0.1812   -0.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5181   -0.3939   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769    0.1956   -0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497    1.0989   -1.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0054   -0.2339    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -1.1007    1.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450    0.2785   -0.2045 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4449   -0.1169    0.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8707    0.9283    1.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6494   -0.8188    1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3105   -0.1186    1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130   -1.4973   -0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7867    0.1250   -1.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4734   -0.0325   -2.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7209    1.2925   -0.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6984   -0.1161    0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.4859   -0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0383    1.4153   -2.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7911    1.5194   -1.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7519   -1.1516    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4162   -0.0068    1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2532    0.5611    0.0488 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