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
1.7697 0.8497 2.1643 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0239 0.4997 0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4092 0.4540 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3892 0.7649 1.3619 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7201 0.0423 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0146 0.1666 0.1177 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3658 0.1969 0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8624 -1.1737 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5369 -1.9616 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9794 -3.2660 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7637 -3.8364 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0903 -3.0509 1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6480 -1.7505 1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1391 1.1558 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6047 2.4085 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2660 3.3687 -1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4979 3.0648 -1.7944 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0385 1.8160 -1.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3744 0.8785 -0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4167 0.7349 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1729 1.0644 2.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8695 -0.5464 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5911 -0.6445 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8786 0.9051 -1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3938 0.5280 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0734 -1.6028 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 -3.8671 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1076 -4.8577 0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7044 -3.4603 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9294 -1.1542 2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3668 2.6983 -0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8510 4.3586 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0519 3.8081 -2.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0110 1.5316 -1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7641 -0.1236 -0.6577 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