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
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
-2.0162 1.3750 1.8347 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9662 0.7632 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1705 0.5553 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3094 1.0120 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1002 -0.1748 -1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7219 0.2886 0.3203 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4429 0.5229 1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6473 -0.0550 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 0.6914 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5484 0.1899 -0.9993 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9342 -1.1240 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1718 -1.8792 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0461 -1.3518 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3531 1.5417 1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2154 0.8678 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9105 0.1343 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1249 -1.2900 -1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1472 0.0056 -1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2862 0.1491 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5272 1.6399 1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0629 1.7163 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1150 0.8216 -1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8246 -1.5141 -1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5108 -2.8936 0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -1.9922 1.4209 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