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
1.8967 -1.2187 -1.7259 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1073 -0.8001 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4239 -0.8408 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6517 -0.4042 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5455 -1.4033 -0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9898 -0.2820 0.1051 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2929 -0.2411 -0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6750 1.1816 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3013 1.6047 -1.8541 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6356 2.9281 -2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3674 3.8557 -1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7433 3.4152 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3951 2.0854 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2893 -0.9445 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2170 -1.7556 -0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1563 -2.4289 0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1755 -2.3005 1.7577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2661 -1.5033 2.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3186 -0.8239 1.6828 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8519 0.0074 1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6351 -0.4517 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5311 -1.0508 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4355 -1.0811 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5080 -2.5301 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2152 -0.6768 -1.5328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5087 0.8549 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1291 3.2526 -2.9291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6134 4.8989 -1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5285 4.1301 0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0903 1.8462 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 -1.8129 -1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8618 -3.0496 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9371 -2.8504 2.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2853 -1.4053 3.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6054 -0.2049 2.1942 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