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
   -3.4765   -0.5337   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1248    0.0966   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2419   -1.0126    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0571   -0.6126    0.6615 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8915    0.0037   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    0.1745   -1.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    0.4371    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7088    0.2575    1.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    1.0819   -1.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940   -1.2125   -1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2430    0.2174   -0.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7194   -1.1937    0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7954    0.6587   -1.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2487    0.8019    0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7005   -1.4594    1.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1570   -1.8315   -0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1158   -0.2069    2.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7001    0.5803    1.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.1093   -0.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9700    0.5052   -1.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7114    2.1386   -1.2099 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