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
   -3.5657   -0.0019   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1134    0.2868    0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3304   -0.9469    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0294   -0.8728    0.3462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174    0.0470   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853    0.8286   -1.0739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190    0.0928    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8564   -0.7307    0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1790    1.1007   -0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7578   -1.1077   -0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758    0.4226    0.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7800    0.3647   -1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224    0.5758    1.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7687    1.1690   -0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560   -1.7702    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5273   -1.2421   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220   -1.4657    1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8835   -0.7146    1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810    2.1289   -0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1964    0.8272   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2281    1.0086   -0.2094 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