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
2.0858 0.9274 1.8101 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 0.3389 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5441 0.0157 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6634 -0.5971 -0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7727 0.3884 0.9364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 -0.0038 0.0037 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 0.2476 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9306 1.1767 -0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2129 0.8916 -0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9292 1.7305 -1.7457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2975 2.8793 -2.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0157 3.2061 -1.8086 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3423 2.3279 -0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9964 -0.9955 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7891 -1.0988 1.7414 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 -2.2333 1.9988 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4974 -3.2953 1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7072 -3.2034 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9522 -2.0589 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7883 -0.8653 -1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6290 -0.8311 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9193 1.4878 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6366 0.0169 1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6416 -0.1589 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1483 0.7674 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6751 -0.0187 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9400 1.4669 -2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8391 3.5524 -2.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5207 4.1030 -2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6605 2.5515 -0.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8391 -0.2639 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1366 -2.2391 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0950 -4.1725 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6938 -4.0515 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3403 -1.9888 -1.1364 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