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
   -4.0108   -0.2459    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7686   -0.6792   -0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5268    0.0052    0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937   -0.4217   -0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8925    0.2575    0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912    1.1013    1.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2399   -0.0059   -0.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3674   -0.8135   -1.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    0.6051    0.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6721    0.3530   -0.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8048    0.7492    0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8854   -0.1376   -0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2511   -0.9249    1.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6228   -1.7849   -0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8635   -0.4183   -1.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147    1.0888    0.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392   -0.2570    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340   -0.1951   -1.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1822   -1.5109   -0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6573    1.5800    1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1701    1.3139    1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2994    1.2337   -0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0366   -0.5528    0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6487    0.2797   -1.5710 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