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
2.6414 0.4307 -1.1004 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3215 -0.0074 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4003 -0.3913 0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0874 -0.8492 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8302 -0.2831 0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9956 -0.0872 0.3479 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0638 0.2767 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9146 1.3488 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3225 2.4143 -0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1182 3.4336 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5399 3.4086 1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1421 2.3452 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 1.3424 1.3484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 -0.9348 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1980 -1.8756 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9166 -2.9956 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2943 -3.1854 -1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 -2.2715 -2.5755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2441 -1.1620 -2.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0484 -0.9301 2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8638 -1.1449 2.8324 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0246 -0.6663 -0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4483 -0.8962 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1639 0.7818 0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4116 0.6366 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9899 2.4369 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4042 4.2438 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1730 4.1949 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4678 2.3071 2.8897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0545 0.5354 1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9132 -1.7483 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2096 -3.7538 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8665 -4.0746 -1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2815 -2.4598 -3.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9646 -0.4199 -2.9310 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