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
   -2.7040    1.1204    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3795    0.5785   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0382   -0.7335    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392   -1.2889   -0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -2.4755   -0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5118   -0.5754   -0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069   -1.0639   -0.4169 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5762    0.6830    0.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8092    1.3640    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5685    0.7145   -0.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8440    1.0043    1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6907    2.2213   -0.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4337    0.4089   -1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6049    1.3410   -0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9796   -0.6020    1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850   -1.4186    0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076   -2.9325   -1.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6380   -3.0072   -0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998    0.9322    0.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7119    2.4532    0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2174    1.2761    1.7395 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