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
   -4.1085    0.8565    0.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8545    0.2722    1.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831   -0.5423    2.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5919    0.5925    0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5688    1.3663   -0.3010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3761    0.0757    1.1104 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8011    0.4243    0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5425    1.5094    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7031    1.8233    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1296    1.0513   -0.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.0416   -1.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1988   -0.3715   -0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689   -1.4680   -0.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8951   -2.2544   -2.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0636   -1.9112   -2.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7947   -0.8197   -2.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4826    1.6827    1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9901    1.3094   -0.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9294    0.1066    0.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7840   -0.8301    2.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9562   -0.9573    2.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453    2.1460    1.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3017    2.6963    0.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0343    1.2689   -1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493   -1.7571   -0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319   -3.1054   -2.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3789   -2.5341   -3.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7191   -0.5886   -2.8509 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