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
2.8096 -0.4032 0.3161 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0349 -1.0298 -0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5433 -2.1300 -1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7574 -2.8016 -2.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9930 -2.4662 -1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7142 -0.6423 -0.4598 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1915 0.4222 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3945 1.4912 -0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1408 2.8139 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6934 3.8346 -0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5132 3.4716 -2.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7787 2.1677 -2.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2171 1.1660 -1.5244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7528 -0.0981 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7195 -1.0310 1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5980 -1.5137 1.9981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5021 -1.0450 3.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5539 -0.1203 3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 0.3436 2.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1573 -3.5931 -2.6865 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7187 -2.5596 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1364 -3.5362 -1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6089 -1.8028 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3610 -2.3932 -0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0861 0.8031 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4977 3.1347 0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 4.8838 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9305 4.2877 -2.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4225 1.9241 -3.1289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4635 0.1513 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8247 -1.4208 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3526 -2.2379 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1694 -1.3957 4.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 0.2442 4.6459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0770 1.0811 2.9089 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