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
    3.4484    0.4262   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1447   -0.1453    0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9597    0.4171   -0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2836   -0.1553    0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2214   -1.0223    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5901    0.2218   -0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7216    1.0322   -1.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7445   -0.3339    0.1376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0283    0.0029   -0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907    0.3566    0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7970   -0.1918   -1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3277    1.4767   -0.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0960    0.0975    1.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1816   -1.2371    0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408    0.0625   -1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398    1.5286   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6992   -1.3464    1.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528   -1.4341    1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3107    1.0046    0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7422   -0.7170    0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0301   -0.0435   -1.4648 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