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
1.8499 -0.4264 -2.2086 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0919 -0.3009 -0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4744 -0.3025 -0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4628 -0.4346 -1.4063 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7484 -0.1526 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0188 -0.1653 -0.1244 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2956 -0.1745 -0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0863 -1.2164 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0256 -1.3548 1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7664 -2.3318 2.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5642 -3.1610 1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6198 -3.0155 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8820 -2.0436 -0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8748 1.1931 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1529 1.3618 0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6316 2.6478 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8663 3.7686 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5903 3.5853 -0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0989 2.3036 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2949 -0.5455 -2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4977 -0.4382 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2456 0.7324 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8552 -0.0915 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3643 -1.0331 1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3018 -0.2960 -1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4003 -0.7073 2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7570 -2.4842 3.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1439 -3.9255 1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2468 -3.6648 -0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9273 -1.9295 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7452 0.4772 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6449 2.7584 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2213 4.7726 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0260 4.4564 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9132 2.1381 -1.0614 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