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
   -2.1181    1.6874   -2.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698    0.8025   -0.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3997    0.5869   -0.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236   -0.2708    0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -0.7328    1.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -0.5777    0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659   -0.1088   -0.2076 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7925   -1.3723    1.6219 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1746   -1.6213    1.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9701    1.2649   -2.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3438    2.6946   -1.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607    1.7316   -2.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    1.2746   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3705   -0.1765   -1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1407    1.5626   -0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    0.0655   -1.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658   -1.3618    1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -0.5094    0.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831   -0.6360    1.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4363   -2.0185    2.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802   -2.2846    0.9395 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