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
   -1.3794    2.3609    1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9699    1.2297    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8640   -0.0129    1.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4723   -1.2104    0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3084   -2.2294    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801   -1.2851   -0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628   -2.3206   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6991   -0.2518   -0.5049 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220   -0.3076   -1.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    1.9175    1.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451    3.2059    0.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357    2.6237    1.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    1.4711   -0.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064    1.1125   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548   -0.1823    1.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0165    0.1792    1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0991   -3.1542   -0.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -2.2214    0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6639    0.3099   -0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3133   -1.3437   -1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322    0.1090   -2.2388 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