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
    3.4986   -0.8962   -0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5711   -0.6719    0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2502   -0.0706    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3216    0.1551    1.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9437    0.7413    0.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2925    1.9316    1.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070   -0.0018    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4927   -1.1382   -0.3675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0024    0.5307   -0.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8388   -0.1898   -1.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3623   -0.0589   -1.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5675   -0.8923   -0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2756   -1.8815   -0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0743    0.0330    1.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3804   -1.6244    1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7806   -0.7761   -0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4430    0.9261   -0.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8558    0.8382    2.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421   -0.7745    2.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6679    2.4630    2.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2098    2.3606    1.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8849   -0.2036   -0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9109    0.4095   -2.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4725   -1.2093   -1.4918 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