Monomers

Methyl 2-methylidenepentanoate

Identifiers

IUPAC name
methyl 2-methylidenepentanoate
InchI
InChI=1S/C7H12O2/c1-4-5-6(2)7(8)9-3/h2,4-5H2,1,3H3
InchI Key
QLXPVMDADJJSOC-UHFFFAOYSA-N
SMILES
CCCC(=C)C(=O)OC
Canonical SMILES
CCCC(=C)C(=O)OC
Isomeric SMILES
CCCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.2739    0.1558    0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149    0.1305    0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689   -0.6366   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699   -0.7437   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9036   -1.9354   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    0.4322   -0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7780    1.6061   -0.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    0.3032    0.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5021    1.3352    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7553   -0.8095    0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8121    0.9951    0.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3246    0.2749   -0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726    1.1790    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432   -0.3879    1.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5049   -1.6516   -0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2633   -0.1501   -1.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3193   -2.8279   -0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590   -2.0198    0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7991    1.3714    1.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1428    2.3283    0.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    1.0509   -0.2280 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  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  5 17  1  0
  5 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers