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
    0.9365    1.1424    0.7215 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5031    0.2022    0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6878   -0.4434    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2765   -1.4075   -0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2371   -0.0045    1.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201   -0.1344   -1.1343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362    0.5091   -1.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3675    0.3463   -0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5081    1.1316   -0.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5726    0.9681   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.0557    0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3926   -0.7144    1.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.5709    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1511   -1.9335    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -1.7337   -1.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211   -0.0666    2.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    1.0323    1.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -0.7224    2.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4953   -0.0332   -2.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0632    1.5813   -1.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5534    1.8592   -1.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4642    1.5927   -0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3821   -0.0212    1.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3533   -1.4359    1.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4672   -1.1992    0.5075 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