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
   -3.4045   -0.1402   -0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5429   -0.9355    0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929   -0.8896    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6913    0.5935    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    0.7835   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935    1.5115   -1.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7908    0.1615    0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5599   -0.5590    1.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1211    0.3063    0.0206 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1703   -0.3190    0.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4549   -0.5037   -0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3404    0.9416   -0.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -0.1881   -1.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5842   -0.4223    1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9133   -1.9730    0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4892   -1.4710    0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0078   -1.2963   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3783    1.0744   -0.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8773    1.0217    1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0068    1.6549   -1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    1.9764   -1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8569    0.4989    1.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795   -1.0261    0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7524   -0.8001    1.6893 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