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
2.5714 0.1271 -1.0616 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2571 -0.2724 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2905 -0.7789 0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9734 -1.1983 2.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7030 -0.8275 0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9255 -0.1975 0.4361 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0887 0.2954 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0059 -0.8167 -0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4674 -2.0470 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2394 -3.1504 -1.3121 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6191 -3.0281 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1789 -1.8189 -0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3822 -0.7240 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7570 1.4848 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1465 1.5223 1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 2.6261 1.9919 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0303 3.7268 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6558 3.7256 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0299 2.6122 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9400 -1.1550 2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7352 -1.5799 2.8633 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9419 -0.0215 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4113 -0.8013 1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 -1.7881 0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3701 0.6063 -1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6138 -2.1633 -1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8050 -4.1151 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2543 -3.8905 -1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2616 -1.7228 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8237 0.2171 -0.4435 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9707 0.6736 2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0901 2.6734 3.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5204 4.6053 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 4.5706 -0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7413 2.6307 -1.6976 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