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
1.8460 -0.9970 -1.9815 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0645 -0.6621 -0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3832 -0.7529 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5996 -0.3948 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5025 -1.2694 -1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0254 -0.1840 -0.0421 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2662 -0.0684 -0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 -1.0068 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0707 -1.8089 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8960 -2.6828 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7996 -2.7597 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8921 -1.9765 2.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0850 -1.1141 1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7506 1.3292 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4030 1.8832 -1.6062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8555 3.1826 -1.5823 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6651 3.9671 -0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0268 3.4503 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5733 2.1338 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5614 -0.4486 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7711 -0.0195 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5367 -0.6177 -1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2932 -2.3300 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4667 -1.1597 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2969 -0.4096 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1325 -1.7331 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6055 -3.2922 -0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4349 -3.4366 2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8405 -2.0600 3.3764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3683 -0.4973 2.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5810 1.3026 -2.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3715 3.5895 -2.4666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0338 4.9870 -0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8747 4.0737 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0768 1.7825 1.4658 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