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
1.7924 1.0808 2.2412 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 0.5272 1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4726 0.3249 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4251 0.7448 1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7621 -0.3422 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0764 0.0912 0.3332 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2957 0.2463 0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8929 1.1744 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2753 2.3237 -0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8658 3.1518 -1.6622 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0835 2.8220 -2.2135 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6987 1.6658 -1.8234 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1144 0.8394 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0065 -1.0581 0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8639 -1.3912 1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5394 -2.6005 1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3643 -3.5092 0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4939 -3.1536 -0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8167 -1.9383 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2002 1.2188 2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4450 0.6064 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4356 -1.4078 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1865 0.1748 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8396 -0.2288 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3788 0.7491 1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6844 2.5624 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3378 4.0749 -1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5274 3.4977 -2.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6584 1.3832 -2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6104 -0.0968 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0026 -0.6828 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 -2.8440 2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8862 -4.4557 0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3523 -3.8585 -1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1341 -1.6922 -1.2020 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