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
   -4.0409   -0.2768   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7653    0.1616    0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553   -0.1936   -0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3071    0.2605    0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   -0.0504   -0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126   -0.6619   -1.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2479    0.3137    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458    0.8955    1.2221 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553    0.0083   -0.6168 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6819    0.3052   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3274   -1.3032    0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8467    0.4115    0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655   -0.1196   -1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7757    1.2483    0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6788   -0.4239    1.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5700   -1.2866   -0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6011    0.3512   -1.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2999   -0.2605    1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3967    1.3386    0.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149   -0.8859   -2.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540   -0.9238   -1.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2983   -0.5801   -0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972    1.1725   -0.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7935    0.4993    0.8398 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