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
   -3.4886    0.1398    1.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6391   -0.5438    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533    0.0496    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5320   -0.7671   -0.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8466   -0.2684   -1.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    0.1794   -2.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8121   -0.2702   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5109   -0.6874    1.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1075    0.1947   -0.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0759    0.2224    0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2967   -0.5685    1.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9166    0.4147    2.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9733    1.0576    0.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1192   -0.4506   -0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165   -1.6068    0.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203    1.1003   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283   -0.0003    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534   -0.6676   -1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5050   -1.8154   -0.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4852    0.1713   -3.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082    0.5560   -2.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8710   -0.4411    1.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0523   -0.0658    0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2652    1.2563    1.2240 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