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
   -4.0406   -0.2370   -0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7341    0.4289    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.3281   -0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104    0.4371    0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9152   -0.1987   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993   -1.2684   -1.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2164    0.3755   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3364    1.4075    0.6660 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045   -0.1774   -0.5235 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6479    0.4038   -0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9754   -1.3448   -0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7998    0.1303    0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3615    0.0998   -1.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121    0.4403    1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7113    1.4312   -0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6281   -0.2930   -1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5307   -1.3745    0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3424    1.4834   -0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126    0.4322    1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6909   -1.7284   -1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1529   -1.6993   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4173   -0.3912   -0.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.2433   -0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6919    0.7277    0.8595 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