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
1.0521 0.0978 1.3148 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5527 -0.2842 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8500 0.1858 -0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3651 -0.2097 -1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6088 1.1323 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7995 -1.1613 -0.5222 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4403 -1.6968 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5398 -0.7432 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2015 -0.2186 -1.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2565 0.6919 -0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6202 1.0531 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9590 0.5291 1.3791 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9294 -0.3604 1.1948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8252 -0.9014 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3270 0.1283 -1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2528 1.8070 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8937 1.7397 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2749 0.5121 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6641 -2.4581 -1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3258 -2.3131 0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9465 -0.4776 -2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7849 1.1119 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4410 1.7622 0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2610 0.8278 2.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4318 -0.7546 2.0880 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