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
   -3.0269    0.9418   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -0.2816   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013    0.2433   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2882   -0.8512    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596   -2.0799    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7040   -0.5244    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512   -1.4326    0.2347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1606    0.7753   -0.0494 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321    1.0856   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482    1.5885   -0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0568    0.6576   -0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9377    1.5047    0.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3568   -0.7733    0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.9515   -0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5779    0.7660   -1.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5237    0.9519    0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6025   -2.8647    0.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2073   -2.3085    0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9196    1.2236    0.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6738    2.0244   -0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300    0.3052   -0.5516 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