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
2.3394 -0.5687 1.6658 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2652 -0.3766 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4460 -0.3660 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3531 -0.1648 -1.6916 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7602 -0.5847 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9986 -0.1777 -0.0971 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1744 -0.1841 0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6968 1.2290 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1389 1.8661 1.7942 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6142 3.1614 1.7397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6466 3.8222 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2173 3.2312 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7454 1.9254 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1655 -1.1710 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8017 -1.9492 1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7366 -2.8943 0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0908 -3.1095 -0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4776 -2.3516 -1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5179 -1.3836 -1.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2457 -0.1555 -2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4224 0.0024 -2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7082 -0.2183 1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9198 -1.6763 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5886 -0.0629 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0703 -0.3686 1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0904 1.2979 2.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9577 3.6542 2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0190 4.8304 0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2421 3.7505 -1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4030 1.4585 -1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5341 -1.7937 2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1842 -3.4607 1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8305 -3.8596 -0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7689 -2.5361 -2.3747 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0639 -0.8161 -1.8254 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