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
   -3.4902   -0.0101   -0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4834   -1.0785   -0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1278   -0.7827    0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337    0.5165   -0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7051    0.8879    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585    2.0337    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8459    0.0158   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -1.0929   -0.6966 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1153    0.3196    0.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2297   -0.5455    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4712   -0.4028    0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6614    0.5565   -1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1295    0.6662    0.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3826   -1.2532   -1.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8912   -2.0378   -0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2239   -0.6088    1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.6359   -0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3852    1.2907   -0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6152    0.4345   -1.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8347    2.2978    1.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0111    2.6831    0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4521   -0.6892   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0975   -0.0441    0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0833   -1.5209    0.6991 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