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
    2.8385    1.1338   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112   -0.1784    0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -0.9008    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3117   -0.1471    0.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171   -0.6547   -0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8691   -1.7932   -0.7524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1615    0.0727   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2327    1.2518    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3944   -0.5706   -0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2584    0.8754   -1.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4946    1.8034    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8177    1.5645   -0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5935   -0.8035    0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5442    0.0544    1.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -1.0536   -1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555   -1.8736    0.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1683    1.7666    0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413    1.7244    0.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6122   -1.5269   -0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -0.8458   -1.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2657    0.1012   -0.5599 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