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
1.3329 -2.1131 1.7246 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7496 -1.4729 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1200 -1.6527 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9214 -2.5105 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6244 -0.8845 -0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9409 -0.5771 0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3914 -0.2913 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3687 -0.6336 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1854 -0.3203 -1.9048 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1161 -0.6514 -2.8641 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2735 -1.3117 -2.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4797 -1.6337 -1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5486 -1.2983 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4736 1.1116 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1591 2.0919 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1009 3.4329 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5959 3.7814 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2339 2.8122 2.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 1.5009 2.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9185 -2.6291 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6249 -3.1032 1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4359 -1.4014 -1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7606 -0.6432 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9660 0.1074 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6095 -0.9523 1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3033 0.1907 -2.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9827 -0.4126 -3.9112 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0417 -1.5988 -3.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3911 -2.1616 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7127 -1.5532 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 1.9042 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5874 4.2175 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6461 4.8248 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7827 3.0643 3.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6745 0.7667 2.6697 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