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
    0.9436    0.1040   -1.4632 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5538    0.2516   -0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8765   -0.3212   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4315   -1.0012   -1.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6031   -0.1575    1.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8947    0.9790    0.6077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3629    1.5465    0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4643    0.6137    0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913    1.1924   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8128    0.4662   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7137   -0.9130   -0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5046   -1.4949   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3716   -0.7549    0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220   -1.1399   -2.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4139   -1.4480   -1.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1243    0.6778    1.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6876    0.0783    0.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611   -1.0914    1.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6169    2.0925    1.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4106    2.3365   -0.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8009    2.2881   -0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7657    0.9480   -0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6169   -1.4644   -0.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4567   -2.5823    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232   -1.2057    0.5126 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