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
   -1.9716    0.8742   -0.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3761   -0.5150   -0.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0836   -0.9931    0.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1133   -0.0951    1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524    0.5182    2.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263    0.1293    0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0083    0.8905    1.2555 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6971   -0.4591   -0.5182 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9856   -0.2595   -1.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9287    1.3189    0.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0650    0.8505   -1.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4853    1.5215   -1.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4595   -0.5533   -1.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1175   -1.2203   -1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657   -2.0042    0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0175   -1.0266    1.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4327    0.3706    2.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259    1.1665    2.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7370   -0.0089   -0.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9162    0.6423   -1.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3725   -1.1475   -1.5874 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