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
   -3.2385    0.9770    0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9716   -0.3389   -0.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6249   -0.8597   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5181    0.0986   -0.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7921   -0.4273   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781   -1.5950    0.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9983    0.3600   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9689    1.4803   -0.9039 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2497   -0.1164    0.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4011    0.6699   -0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1395    1.8132   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2302    1.0067    0.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4859    1.1900    0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0178   -0.1815   -1.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7183   -1.1260   -0.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4210   -1.8040   -0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660   -0.9919    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6760    1.1029   -0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4587    0.2733   -1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0161   -2.1663    0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8354   -1.9778    0.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1112    1.7285   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9545    0.2327   -1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932    0.6518    0.7816 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