Monomers
2-Propenoic acid, 2-methyl-, diphenylmethyl ester
Identifiers
IUPAC name
benzhydryl 2-methylprop-2-enoate
InchI
InChI=1S/C17H16O2/c1-13(2)17(18)19-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,1H2,2H3
InchI Key
AVXYPAZKABBYHD-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OC(c1ccccc1)c1ccccc1
Canonical SMILES
CC(=C)C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2
Isomeric SMILES
CC(=C)C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C17H16O2
Heavy Atom Count
19
Molecular Weight
252.313
Exact Molecular Weight
252.115
Valence Electrons
96
Radical Electrons
0
tPSA
26.3
MolLogP
3.8953
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
35 36 0 0 0 0 0 0 0 0999 V2000
1.8735 0.0247 2.3308 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0874 0.0993 1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4808 0.1619 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7904 0.2406 -0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5860 0.1338 1.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0111 0.1186 0.2526 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 0.0603 0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8850 -1.2269 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0986 -2.3558 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5756 -3.5529 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8210 -3.5692 -0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5866 -2.4388 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1159 -1.2437 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1464 1.1708 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0080 1.8229 1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8031 2.8844 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7283 3.2996 -0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8670 2.6571 -1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0998 1.6137 -1.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8139 0.2845 -0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0194 0.2625 -1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1192 -0.8547 1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2757 0.9741 1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1997 0.3092 2.6437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4507 -0.0032 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8838 -2.3150 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0399 -4.4361 -0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1724 -4.5205 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5740 -2.4545 -1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6886 -0.3317 -0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1170 1.5456 2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4771 3.3779 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 4.1357 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8482 3.0217 -2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4229 1.1040 -1.8282 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
7 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
13 8 1 0
19 14 1 0
4 20 1 0
4 21 1 0
5 22 1 0
5 23 1 0
5 24 1 0
7 25 1 0
9 26 1 0
10 27 1 0
11 28 1 0
12 29 1 0
13 30 1 0
15 31 1 0
16 32 1 0
17 33 1 0
18 34 1 0
19 35 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers