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
   -2.8957    1.5667   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4142    0.2604    0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    0.0189   -0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4298   -1.2627    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274   -1.4516   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1391   -2.5257   -0.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -0.4979    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -0.7099   -0.5039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8626    0.6423    0.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401    1.5349    0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1420    2.0348   -0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0543    2.2652    0.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8153    1.3999   -0.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1035   -0.5509    0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4089    0.2806    1.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3335    0.8487    0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1372   -0.0508   -1.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0956   -2.0866    0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935   -1.2168    1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721   -3.2327   -1.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413   -2.6666   -1.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7804    2.3996    0.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0026    1.8940    2.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9197    1.1061    0.7173 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