Monomers

Benzyl methacrylate

Identifiers

IUPAC name
benzyl 2-methylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
AOJOEFVRHOZDFN-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OCc1ccccc1
Canonical SMILES
CC(=C)C(=O)OCC1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)OCC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.3059
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.9069   -0.2022    1.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487   -0.2559    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    0.4390    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4717    0.3840   -1.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3347    1.2130    1.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700   -1.0106   -0.8672 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -1.6643   -0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3882   -0.7971   -0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5673   -1.4200    0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6986   -0.6846    0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6866    0.6948    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125    1.3328   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065    0.5672   -0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1008   -0.1760   -1.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4037    0.9021   -1.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0955    1.9598    0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8302    0.4958    1.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390    1.7964    1.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -2.2801   -1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1441   -2.3893    0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6437   -2.4940    0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.1538    0.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820    1.2511    0.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150    2.4130   -0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.0789   -0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers