Monomers

N-Propyl methacrylate

Identifiers

IUPAC name
propyl 2-methylprop-2-enoate
InchI
InChI=1S/C7H12O2/c1-4-5-9-7(8)6(2)3/h2,4-5H2,1,3H3
InchI Key
NHARPDSAXCBDDR-UHFFFAOYSA-N
SMILES
CCCOC(=O)C(=C)C
Canonical SMILES
CCCOC(=O)C(=C)C
Isomeric SMILES
CCCOC(=O)C(=C)C
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
   -2.5451   -0.6155    0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2916   -0.3091   -0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073    0.9775   -0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597    0.9438   -0.2237 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7536    0.0488   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257   -0.8026   -1.4076 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9921    0.1427    0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1747    1.0579    1.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977   -0.8258   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5649    0.3622    1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634   -1.2389    1.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5249   -1.1361    0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2719   -0.1510   -1.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7662   -1.1796   -1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863    1.3137   -1.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1129    1.7633   -0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059    1.7881    1.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1156    1.1022    1.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714   -0.7815    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5266   -0.6110   -1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309   -1.8491   -0.1255 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  7  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
  8 17  1  0
  8 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