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
    3.8043    0.6534    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988    1.0545   -0.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576   -0.0594    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0485    0.2659   -0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514   -0.8117    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3479   -1.8597    0.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869   -0.6839   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0937   -1.5845    0.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8253    0.4213   -0.7100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2316    0.4960   -0.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471   -0.4401    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    1.0325    1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5547    1.0897   -0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1608    2.0180    0.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3859    1.1754   -1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8249   -0.9724   -0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5813   -0.1742    1.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668    1.2373    0.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    0.3596   -1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7044   -1.9676    0.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586   -2.6364    1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7532    0.3677    0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5185   -0.3967   -1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5028    1.4153   -1.4391 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