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
   -3.5629    0.8309   -0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7161   -0.1027    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2361    0.0116   -0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4891   -0.9619    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622   -0.9617    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5444   -2.0712   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7985    0.2219    0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    1.3056    0.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620    0.2140    0.1763 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586    1.3757    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0199    0.2975   -1.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4381    1.1128   -0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0278    1.7063   -1.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7596    0.1113    1.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9932   -1.1721   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0768   -0.1642   -1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8567    1.0337   -0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044   -1.9571    0.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -0.6887    1.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9479   -2.9586   -0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6011   -2.1476   -0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    1.1275    0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3415    1.6376   -0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3916    2.1995    0.7944 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