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
2.4025 -0.5756 -1.5974 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3036 0.1049 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4582 0.7439 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3191 1.4488 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8223 0.6121 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0719 0.2439 0.0178 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1260 -0.3237 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7072 -1.3118 0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1762 -2.5295 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7200 -3.4773 0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7887 -3.1652 2.2263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3249 -1.9503 2.6838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7833 -1.0171 1.8261 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1226 0.6910 -0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8173 0.5788 -2.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7665 1.4897 -2.4487 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0274 2.5693 -1.6344 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3501 2.7240 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4089 1.7935 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1865 1.9189 1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3317 1.5557 1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5237 0.1086 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7375 0.0812 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2024 1.6524 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1522 -0.8839 -1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1330 -2.8029 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0916 -4.4385 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2162 -3.8985 2.9124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3879 -1.7170 3.7635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4333 -0.0760 2.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6339 -0.2682 -2.7003 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2943 1.3514 -3.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7774 3.2924 -1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5490 3.5759 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8761 1.8991 0.8800 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