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
2.1558 0.1331 1.9997 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1820 0.4922 0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3419 1.1223 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4109 1.3322 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3142 1.5290 -1.2416 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0595 0.2781 0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1176 -0.3280 0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4940 -1.5478 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7983 -1.7454 -0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2024 -2.8811 -1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2511 -3.8242 -1.5811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0813 -3.6412 -1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4368 -2.4984 -0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1929 0.7023 0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3456 1.4785 -0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3263 2.4426 -0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1662 2.6071 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0203 1.8327 1.4318 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0360 0.8717 1.5293 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4176 1.0341 1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2908 1.8089 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1072 2.2987 -1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3067 1.9207 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5941 0.6660 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0717 -0.5638 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5910 -1.0193 -0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2461 -3.0038 -1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5426 -4.7222 -2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7839 -4.4179 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4858 -2.4036 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6794 1.3444 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4191 3.0362 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9337 3.3623 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7266 2.0212 2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9508 0.2825 2.4381 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