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
2.0398 -2.0555 -0.8439 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2051 -0.9118 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5468 -0.3790 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5944 -1.1133 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 0.9785 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1249 -0.1440 -0.0353 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2224 -0.5502 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9443 -0.6298 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7485 -1.7204 1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4665 -1.8873 2.4952 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3840 -0.9208 3.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5741 0.1886 3.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8680 0.3384 2.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9179 0.2866 -1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1759 0.7695 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8538 1.5616 -1.8837 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2633 1.8786 -3.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9955 1.3920 -3.3315 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3345 0.6069 -2.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4453 -2.0919 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5998 -0.7482 -0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7508 1.3547 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7316 0.9535 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0140 1.7067 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1686 -1.5786 -0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8418 -2.5183 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0858 -2.7634 2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9442 -1.0559 4.3686 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5427 0.9240 4.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2427 1.1987 1.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7202 0.5730 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8472 1.9413 -1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7871 2.5026 -3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5482 1.6519 -4.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6528 0.2615 -2.6590 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