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
   -4.1725   -0.5791    1.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2666    0.0603    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7100    0.4697   -1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8555    0.2258    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3957   -0.1557    1.5852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444    0.8159   -0.3900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3891    0.9618   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8508    2.0872    0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770    2.2499    0.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937    1.2601    0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6521    0.1258    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142   -0.0257   -0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701   -1.1577   -0.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885   -2.1524   -1.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1235   -2.0183   -0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5503   -0.8799   -0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9205   -1.6579    1.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2285   -0.3773    0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9387   -0.1037    2.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7415    0.3686   -1.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0486    0.9367   -1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1304    2.8770    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359    3.1330    1.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1266    1.3957    0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1849   -1.2456   -1.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4031   -3.0221   -1.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085   -2.8179   -1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938   -0.7740    0.0391 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