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
   -2.9400    1.1817   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -0.0880   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712    0.3157   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2074   -0.8730    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972   -2.0731    0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460   -0.6517    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4164   -1.6421    0.2838 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213    0.5964    0.0378 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453    0.7722    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816    1.8762    0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0338    0.9846   -0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6066    1.6487   -1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636   -0.7464   -0.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4116   -0.5608    0.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5660    0.9832    0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024    0.8865   -0.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3855   -2.1993    0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2633   -2.9739    0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    0.6987    1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8185    1.8208   -0.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565    0.0434   -0.5625 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