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
   -1.9907    1.4925    1.8034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9780    0.7431    0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2249    0.3735    0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3800    0.8263    0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2154   -0.5096   -1.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7405    0.2871    0.3715 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282    0.6676    1.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521    0.0848    0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8783    0.3641    1.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0629   -0.1349    0.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0346   -0.9491   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8185   -1.2555   -1.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6461   -0.7372   -0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2905    0.5563    0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4604    1.4759    1.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2710   -1.0899   -1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0707   -1.2213   -1.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2505    0.1423   -1.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253    1.7715    1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562    0.2446    2.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.0048    1.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0326    0.0856    0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9724   -1.3416   -0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8432   -1.8996   -2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7192   -0.9814   -1.1124 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