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
1.8648 0.1968 -2.3078 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0277 0.2835 -1.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3402 0.5129 -0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5259 0.6062 0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5013 0.6443 -1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9512 0.1611 -0.2299 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3862 -0.0660 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 1.0614 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1313 1.5324 1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8872 2.5767 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7747 3.1647 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8701 2.6999 -0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1033 1.6485 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8094 -1.3579 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0530 -1.5127 0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4417 -2.7289 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5569 -3.7877 1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3107 -3.6665 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0318 -2.4504 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7237 0.5198 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5076 0.7757 1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3985 0.2649 -0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7111 1.6886 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2983 0.0555 -2.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3778 -0.1199 -1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4338 1.0730 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8040 2.9340 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3611 3.9845 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5866 3.1995 -1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2150 1.3168 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7283 -0.6899 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4009 -2.8826 1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8086 -4.7561 1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3700 -4.5244 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0107 -2.3578 -0.5344 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