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
-2.1210 1.7389 0.6659 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9653 0.5841 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1142 -0.2744 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0087 -1.4939 -0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4723 0.2248 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6651 0.2011 -0.0763 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4447 1.0773 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7178 0.4358 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7281 -0.8392 -0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9553 -1.3919 -1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1138 -0.6862 -0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1133 0.5839 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8826 1.1496 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0110 -1.8412 -0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8522 -2.1278 -0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6526 -0.0342 1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2543 -0.2496 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4520 1.3256 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4998 1.3100 1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2453 1.9895 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8540 -1.4357 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0070 -2.3806 -1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0523 -1.1563 -1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0279 1.1350 -0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9268 2.1553 0.3764 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