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
1.8161 -0.1549 2.1956 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0440 -0.4243 0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3591 -0.8355 0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5665 -1.1116 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4742 -0.9431 1.4908 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9786 -0.3125 0.1108 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3218 0.0799 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3396 -0.9274 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 -1.2103 1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2758 -2.1698 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3074 -2.8417 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3655 -2.5739 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3920 -1.6145 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6021 1.4034 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1828 2.4415 0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4391 3.6673 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1029 3.8534 -1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5227 2.8568 -2.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2737 1.6233 -1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7711 -1.0409 -1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5332 -1.4171 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 0.0512 2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2976 -1.7476 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4550 -1.0388 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2630 0.2607 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3093 -0.7169 2.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0182 -2.3956 1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0738 -3.5977 -0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3875 -3.1022 -2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6542 -1.3920 -1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4317 2.2374 1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8951 4.4425 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2940 4.8211 -1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2536 2.9971 -3.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1864 0.8326 -2.0224 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