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
1.9986 1.0730 1.6965 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1543 0.1636 0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4585 -0.4415 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6034 -1.3791 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6068 -0.0049 1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0324 -0.1884 0.1078 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2495 0.3980 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2099 -0.6053 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0612 -0.2745 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9825 -1.1808 2.2913 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0661 -2.4462 1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2224 -2.7985 0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3226 -1.8795 0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7049 1.1212 -0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2702 2.3567 -0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6983 3.0310 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5641 2.4768 -3.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9906 1.2248 -3.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5674 0.5634 -2.1418 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7571 -1.7073 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5857 -1.8204 -0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2121 0.4503 2.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2683 0.7108 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2531 -0.8709 1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 1.1589 1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0521 0.6977 2.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6621 -0.9259 3.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7969 -3.1371 2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3114 -3.8119 0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6669 -2.1689 -0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3911 2.8184 0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1382 4.0055 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9031 3.0180 -4.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8832 0.7867 -4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1209 -0.4140 -2.2366 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