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
2.0463 2.0243 0.2847 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0271 1.1280 -0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0902 1.0880 -1.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0446 1.9868 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0798 0.0480 -2.6077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9771 0.2225 -0.5666 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0146 0.3535 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1304 -0.8281 1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1322 -2.1259 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2482 -3.1979 1.6918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3674 -3.0194 3.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3657 -1.7366 3.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2504 -0.6677 2.6656 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3531 0.6733 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7638 -0.0198 -1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0033 0.2980 -1.7928 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8311 1.2562 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3871 1.9243 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1768 1.6545 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0289 2.7421 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8655 2.0077 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0969 -0.1656 -2.9906 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6269 -0.9036 -2.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4513 0.3219 -3.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2252 1.2320 1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0375 -2.2711 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2488 -4.2251 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 -3.8813 3.7119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4568 -1.5464 4.5819 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2517 0.3602 3.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1616 -0.7930 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3247 -0.2519 -2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8005 1.4607 -1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0118 2.6846 0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 2.1670 1.3018 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