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
2.4995 -0.6683 -1.4185 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3574 -0.3157 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4657 -0.1654 0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3043 0.2062 1.9526 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8378 -0.4414 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0823 -0.0577 0.2275 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0785 -0.1622 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7791 1.1287 -0.7317 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0040 2.0092 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6566 3.2047 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1095 3.5579 -1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9074 2.7173 -2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2532 1.5332 -1.9666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 -1.1929 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6426 -2.0922 -0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5184 -3.0309 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7937 -3.1022 0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1673 -2.1960 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2869 -1.2495 1.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2850 0.4029 2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0861 0.3283 2.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8030 -1.0329 -0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4581 -0.9554 0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3765 0.5156 -0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2565 -0.4856 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6619 1.7507 1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8020 3.8459 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6157 4.4931 -1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2687 3.0083 -3.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1103 0.8872 -2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4244 -2.0352 -1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9957 -3.7280 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4797 -3.8365 1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3913 -2.2605 2.8626 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8433 -0.5810 2.0085 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