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
2.2529 1.4951 -1.2067 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3283 0.7243 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5819 0.4226 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6889 0.9558 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6010 -0.4865 1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1091 0.1785 0.2149 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1107 0.4718 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6181 -0.8006 -1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1530 -0.8050 -2.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6340 -1.9355 -2.9393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5888 -3.1275 -2.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0598 -3.1405 -0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5804 -2.0000 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1503 1.0125 0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9017 2.0814 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8920 2.6708 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1820 2.1993 1.9514 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4425 1.1341 2.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4354 0.5315 1.7044 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6250 0.7448 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6809 1.6169 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4546 -0.2972 2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7294 -1.5272 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6873 -0.4385 2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 1.1682 -1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1666 0.1536 -2.8238 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0333 -1.8657 -3.9404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9578 -4.0155 -2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0573 -4.1185 -0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1863 -2.0647 0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7047 2.4935 -1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4646 3.4988 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9629 2.6397 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6363 0.7236 3.4229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8567 -0.2940 2.0701 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