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
   -3.0108    1.4111   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2801    0.4728    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013   -0.0494    0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3098   -0.9975    1.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9264   -1.4771    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0473   -2.7784    0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937   -0.5681    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0109   -1.0524   -0.4142 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9708    0.7992    0.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028    1.6747   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9091    1.0656   -1.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1044    1.3420    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6944    2.4772    0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9745    1.0240    1.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520   -0.3425    1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3102    0.7484   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913   -0.5990   -0.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670   -0.4789    2.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9946   -1.8421    1.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219   -3.1738   -0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746   -3.4767    0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100    1.3011    0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8795    2.6414    0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618    1.8786   -1.1393 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