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
   -1.9377   -1.3640   -0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262    0.0927   -0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2692    0.9614    0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1041    1.0393   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269    2.1370   -0.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0658   -0.0147    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305   -1.0395    0.7545 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3855    0.0960   -0.3193 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451   -0.9945   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7904   -1.8612    0.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550   -1.9179   -0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1252   -1.6592   -1.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4072    0.4270   -1.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2734    0.1753    0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903    0.7127    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7218    2.0101    0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5398    2.1801   -1.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1024    2.9906   -0.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2911   -0.6702    0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2237   -1.7058   -0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864   -1.5952    0.8235 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