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
-1.8213 -0.6430 2.1559 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -0.5675 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4546 -0.7750 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4076 -1.0443 1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8374 -0.6986 -0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0435 -0.2818 0.0787 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2726 -0.0834 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6478 1.3341 0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8692 1.6671 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2466 2.9827 -0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3586 3.9903 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1158 3.6811 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2341 2.3436 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2401 -1.0307 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1681 -1.6385 0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1018 -2.5379 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1424 -2.8704 -0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2301 -2.2820 -1.8152 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2942 -1.3779 -1.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4373 -1.2082 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1802 -1.1103 2.3939 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1247 -1.7279 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6640 0.0160 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9392 -0.3491 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2479 -0.2037 1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5484 0.8789 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2170 3.2239 -0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6402 5.0318 -0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5595 4.4895 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2061 2.1775 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1560 -1.3911 1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -2.9770 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8825 -3.5820 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2564 -2.5379 -2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5642 -0.8983 -1.9804 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