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
    3.5279    0.3111   -1.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0923    0.8407   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    1.6946    0.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8252    0.3646    0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4009    0.7778    1.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865   -0.5438   -0.3552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1176   -0.9700    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -2.0860    0.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843   -2.5277    1.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4468   -1.8312    1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4514   -0.7146    0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2584   -0.2674   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848    0.8312   -0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3394    1.5372   -1.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5324    1.1120   -0.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5910   -0.0004    0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804    0.8248   -2.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069   -0.7766   -1.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832    0.5406   -1.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7389    2.0724    0.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4286    2.0399    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8334   -2.6213    1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763   -3.4132    2.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856   -2.1581    1.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2503    1.1671   -1.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081    2.4221   -1.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4330    1.6772   -0.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5349   -0.3030    0.5526 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