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
    0.9197   -1.4565    0.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4634   -0.3379    0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -0.2012   -0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2189   -1.2671   -1.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.1441   -0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024    0.7588    0.8951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613    0.7822    1.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062    0.2914    0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.9698    0.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9771   -1.4305    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5015   -0.5672   -0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0084    0.7087   -0.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9633    1.1280   -0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428   -2.2199   -0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1230   -1.1730   -1.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2084    1.6924    0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3964    0.9583   -0.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9053    1.7003   -1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1428    0.1169    2.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5008    1.7914    2.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -1.6351    1.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3730   -2.4498    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3246   -0.8879   -1.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4400    1.3846   -1.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5787    2.1388   -0.2840 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