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
   -3.8625    0.4273    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5826   -0.1431   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4178    0.3624    0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1058   -0.1783   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0232    0.3287    0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552    1.1378    1.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033   -0.0475    0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3002    0.4198    1.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7639   -0.8862   -0.6187 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0816   -1.2792   -0.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6564   -0.3648   -0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8246    0.7013    1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2084    1.2900   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5991   -1.2560   -0.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4953    0.1947   -1.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904    1.4657    0.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6283    0.0568    1.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1606   -1.2721   -0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    0.1294   -1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071    1.4981    2.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536    1.4408    1.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2205   -2.3649   -0.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2964   -0.8768   -1.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8311   -0.7838   -0.2661 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