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
    3.4901    0.4619    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769    0.0667   -0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357   -0.3525    0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0166   -0.7504    0.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8944    0.1375    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5475    1.2986   -0.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2656   -0.2679   -0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6576   -1.4933    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1970    0.7226   -0.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2109    0.2993   -0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7427   -0.1215    0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202    1.5205    0.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2278   -0.7622   -1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6643    0.9418   -0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3522    0.5073    1.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9130   -1.1691    1.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6725   -1.8274   -0.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607   -2.1679    0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0685    0.6862   -1.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2482    0.4981   -0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9385    1.7717   -0.5031 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