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
    0.8080    0.1365    1.4202 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4342    0.3936    0.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7766   -0.1080    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460   -0.8402    1.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4866    0.2257   -1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8449    1.1569   -0.6113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4468    1.6566   -0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4748    0.5765   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7566    0.9268    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7456   -0.0181    0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4931   -1.3577    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2105   -1.6854   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2046   -0.7469   -0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3324   -1.2093    0.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990   -1.0550    2.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512    0.4194   -0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208    1.1250   -1.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3981   -0.6093   -1.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5658    2.3705    0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223    2.2232   -1.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9579    1.9940    0.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7472    0.2841    0.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2813   -2.0839    0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9812   -2.7406   -0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2101   -1.0344   -0.8316 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