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
    2.4641   -0.1520    1.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2557    0.3174    0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0671   -0.7430   -0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0773   -0.4404   -1.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1183   -0.2761   -2.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4159   -0.3242   -0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3580   -0.0705   -1.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6415   -0.4922    0.5537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9430   -0.3883    1.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1608   -1.0610    2.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    0.6898    2.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400   -0.4098    0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3830    0.3776    1.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5251    1.2973    0.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9838   -0.8786   -1.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452   -1.6903    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147   -0.3631   -3.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6788   -0.0554   -3.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6674   -0.5664    0.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0642   -1.1753    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0384    0.6410    1.5236 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