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
1.9328 -1.1882 -1.8071 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9681 -1.1507 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0654 -1.7811 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0205 -2.3887 -0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0920 -1.7289 1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9299 -0.4939 0.0864 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1413 0.1198 -0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3874 -0.5879 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3771 -1.9664 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4921 -2.7231 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6735 -2.0834 0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7129 -0.7098 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5829 0.0299 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2085 1.5723 -0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1007 2.0752 0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1624 3.4388 1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 4.3255 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4448 3.8520 -1.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3807 2.4789 -1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0034 -2.4280 -1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8250 -2.8504 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6417 -2.5793 2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0782 -1.7012 2.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5789 -0.7710 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0793 -0.0644 -1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4440 -2.4723 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4497 -3.8051 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5671 -2.6660 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6601 -0.2063 0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6170 1.1114 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0366 1.4382 1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0764 3.8331 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3900 5.3995 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5814 4.5554 -2.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4664 2.1162 -2.4116 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