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
    2.9416    1.0115   -1.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8700    0.5982   -0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795   -0.1732   -1.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1797   -0.5378   -0.7188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429    0.2908    0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670    1.5270   -0.0611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8960   -0.2939    0.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6660    0.4002    1.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9982   -1.7974    1.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605    0.4275   -1.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615    0.7669   -3.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1477    2.0915   -1.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3215   -0.0383   -0.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5195    1.5181   -0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2252   -1.1089   -2.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3786    0.3907   -2.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3512   -0.0711    2.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6057    1.4661    1.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0220   -2.2659    0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4659   -2.1228    2.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7112   -2.0793    0.2316 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