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
    1.8287    0.2144   -2.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8872   -0.0171   -1.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1567   -0.3069   -0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2619   -0.3263   -1.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335   -0.5796    0.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6874    0.0155   -0.4435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    0.2990   -1.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862    0.2921   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3731   -0.8874   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855   -0.9589    0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8913    0.1898    1.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2348    1.3865    1.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323    1.4199    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1948   -0.5388   -0.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2463   -0.1350   -2.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.3542    1.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2842   -0.9356    1.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508   -1.3349    1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6444   -0.4757   -1.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4036    1.2799   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0843   -1.8200   -0.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0099   -1.9121    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7596    0.1329    2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5813    2.2687    1.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    2.3754    0.3097 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