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
2.0861 -0.4088 -2.0265 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2331 -0.0624 -0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5748 0.2033 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6136 0.0713 -1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7826 0.6123 1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0956 0.0531 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2092 -0.1953 -0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0215 1.0432 -0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8228 1.4349 -1.6073 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5686 2.5857 -1.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5412 3.4174 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7518 3.0591 0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0111 1.8964 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8698 -1.3223 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5628 -2.2888 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1920 -3.3559 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1474 -3.4925 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4656 -2.5478 2.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8405 -1.4828 1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5365 -0.2238 -2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5940 0.2644 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9341 1.6977 1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6572 0.0645 1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8967 0.2757 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0806 -0.4859 -1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8379 0.7688 -2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1777 2.8324 -2.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1227 4.3418 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6857 3.6739 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3828 1.6059 1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6011 -2.1849 -1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7270 -4.1014 -0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6241 -4.3096 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4398 -2.6690 3.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3209 -0.7706 2.1241 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