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
2.1616 -0.4916 -1.8601 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2840 -0.4027 -0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5636 -0.5606 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6213 -0.8031 -0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7416 -0.4632 1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1034 -0.1444 0.0908 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1222 0.0016 -0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7299 1.3359 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2667 2.0429 -1.4291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8384 3.2862 -1.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8897 3.8676 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3594 3.1808 1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7892 1.9361 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0839 -1.0883 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3976 -0.7876 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3132 -1.7853 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9124 -3.1040 0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5970 -3.4057 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6923 -2.4077 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5739 -0.8900 -1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6210 -0.9331 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9961 -1.0043 2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6840 0.6132 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7397 -0.8268 1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0533 -0.1235 -1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2193 1.5699 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2588 3.8287 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3286 4.8339 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3737 3.5967 2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3705 1.3856 1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7168 0.2475 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3439 -1.5305 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6313 -3.8916 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2506 -4.4469 0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3419 -2.6359 -0.3802 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