Monomers

Naphthyl methacrylate

Identifiers

IUPAC name
naphthalen-1-yl 2-methylprop-2-enoate
InchI
InChI=1S/C14H12O2/c1-10(2)14(15)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1H2,2H3
InchI Key
HVYCQBKSRWZZGX-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)Oc1cccc2c1cccc2
Canonical SMILES
CC(=C)C(=O)OC1=CC=CC2=CC=CC=C21
Isomeric SMILES
CC(=C)C(=O)OC1=CC=CC2=CC=CC=C21
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C14H12O2
Heavy Atom Count
16
Molecular Weight
212.248
Exact Molecular Weight
212.0837
Valence Electrons
80
Radical Electrons
0
tPSA
26.3
MolLogP
3.3213
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 28 29  0  0  0  0  0  0  0  0999 V2000
   -3.7102   -0.8947    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2593    0.3151   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1174    1.2912   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8797    0.4227   -0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4568    1.4274   -1.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916   -0.6176   -0.2908 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187   -0.6253   -0.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6157   -1.1391   -1.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9531   -1.1304   -2.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9351   -0.6323   -1.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6178   -0.1265   -0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2979   -0.1279    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472    0.3710    1.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    0.8809    2.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2535    0.8918    1.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5725    0.3858    0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8159   -1.2465    1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4911   -0.6897    1.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9521   -1.7223    0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1230    1.1866    0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7811    2.1661   -0.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420   -1.5281   -2.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1930   -1.5296   -3.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9754   -0.6297   -1.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900    0.3510    1.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6014    1.2634    3.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900    1.2923    2.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123    0.3946    0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 12  7  1  0
 16 11  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  3 21  1  0
  8 22  1  0
  9 23  1  0
 10 24  1  0
 13 25  1  0
 14 26  1  0
 15 27  1  0
 16 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers