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
2.2922 -0.8643 -1.4880 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2532 -0.5465 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4663 -0.6288 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4730 -0.3036 1.8049 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7261 -1.0857 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0360 -0.1296 0.2438 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1517 -0.0415 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6947 1.3223 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7603 2.1137 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2713 3.3962 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 3.9185 -0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6679 3.1452 -1.8689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1549 1.8691 -1.7676 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1861 -1.0161 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8180 -2.3182 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 -3.2712 0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0522 -2.9366 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4094 -1.6230 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5088 -0.6706 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5577 0.0257 2.2565 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3608 -0.3645 2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4989 -1.8765 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1708 -0.2170 -0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4290 -1.5289 0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1174 -0.3704 -1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4290 1.7909 1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3353 4.0469 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1299 4.9238 -0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0263 3.5502 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1148 1.2711 -2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2168 -2.6331 0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 -4.2988 0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7753 -3.6664 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4452 -1.3329 0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7763 0.3506 -0.0722 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