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
1.6705 -1.9197 -1.0878 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9475 -1.1431 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2808 -1.1903 0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5494 -0.3661 1.4736 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2833 -2.1550 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9716 -0.2678 0.2804 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2910 -0.2580 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5017 1.0269 -1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5251 1.5295 -1.7981 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4439 2.7257 -2.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7487 3.4107 -2.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7985 2.9297 -1.6383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6742 1.7338 -0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3850 -0.5850 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3642 -1.4702 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4243 -1.8383 1.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5006 -1.2849 2.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5405 -0.3987 2.6937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4915 -0.0520 1.8625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8326 0.3437 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 -0.4105 1.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7797 -3.1655 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1286 -2.2401 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6075 -1.9014 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2773 -1.0321 -1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4871 1.0030 -1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2437 3.1188 -3.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8552 4.3625 -2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7449 3.4855 -1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5281 1.3703 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3108 -1.9109 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1871 -2.5484 0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3349 -1.5840 2.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6058 0.0369 3.6971 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7144 0.6450 2.1627 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