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
    3.7775   -0.8473   -1.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7776   -0.0016   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623   -0.5610   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4652    0.3691    0.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -0.0692    0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3499   -1.1356   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9217    0.7491    0.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5871    1.7767    1.5567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2470    0.3866    0.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2743    1.0937    1.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6246   -1.1757   -0.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2026   -0.2529   -1.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3062   -1.7971   -1.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8164    1.0552   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325    0.0022    0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535   -1.5413    0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0453   -0.6483   -1.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4972    1.3789   -0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980    0.4557    1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3817   -1.4071   -0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6394   -1.7353   -0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9036    1.6493    2.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6777    1.8451    0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1184    0.4108    1.8200 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