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
1.9713 -0.0244 2.1940 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1445 -0.0953 0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4981 -0.2696 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4914 -0.3467 1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7259 -0.3570 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0333 -0.0033 0.1405 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2837 0.1660 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9315 1.3779 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8652 1.7258 -1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 2.8752 -1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1845 3.6797 -0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2660 3.3502 0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6280 2.1914 0.9858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0360 -1.0716 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3901 -2.2785 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0054 -3.4777 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2713 -3.4899 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9223 -2.2909 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3071 -1.0832 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3114 -0.2829 2.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4872 -0.4745 0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1071 -1.1672 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7864 -0.6410 -1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4956 0.6426 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2263 0.2061 1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3194 1.1014 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4364 3.1492 -2.6866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6714 4.5874 -1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8137 3.9921 1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6704 1.8983 2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6082 -2.3036 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4689 -4.3847 0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7316 -4.4462 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9322 -2.3128 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8081 -0.1424 -0.4165 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