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
    2.0271   -2.1242   -0.2953 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8826   -0.8706   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0420    0.0000   -0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    1.2952   -0.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815   -0.5665   -0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6114   -0.3791   -0.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304   -1.2026    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7260   -0.3506    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9538   -0.9465    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0568   -0.1624    0.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9419    1.2096    0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7256    1.8197    0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6188    1.0206    0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069    1.9528   -0.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8925    1.7088   -0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5551   -0.9140   -1.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -1.4370    0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1916    0.1548   -0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3813   -1.7992    1.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337   -1.9362   -0.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0302   -2.0401    0.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0161   -0.6381    0.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8280    1.8114    0.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6335    2.9089    0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.4852    0.1383 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