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
   -2.0890   -1.0158    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699   -0.8094   -0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9887    0.6307   -1.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0973    1.1640    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143    2.2027    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    0.5764    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388    1.0612    1.2227 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7134   -0.5139   -0.3742 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825   -1.0338   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056   -1.6290    0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -0.0729    1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376   -1.5625    1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9637   -1.2352   -1.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4183   -1.3978   -0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871    0.6443   -1.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8275    1.3036   -1.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4732    2.6672    0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1117    2.6091    1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580   -1.3455    1.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1602   -1.9574   -0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727   -0.2860   -0.2843 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