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
1.9144 -0.6529 2.1723 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1642 -0.3501 0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5290 -0.2559 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5211 -0.4878 1.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7851 0.1014 -0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0649 -0.1148 0.1509 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2750 -0.2070 0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9091 1.1332 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7678 1.9410 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3343 3.1797 -0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0866 3.6798 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2376 2.8871 1.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6624 1.6318 1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0485 -1.2053 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3248 -0.9577 -0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0113 -1.9285 -1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4230 -3.1479 -1.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1447 -3.3992 -1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4665 -2.4199 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3155 -0.7462 2.3314 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5334 -0.4172 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8804 0.5569 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9405 -0.8710 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6909 0.7290 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2095 -0.4841 1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1842 1.5826 -1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2158 3.7978 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5295 4.6498 0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8293 3.2659 2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8141 1.0375 2.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7569 -0.0020 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0037 -1.6760 -1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9755 -3.8822 -2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6681 -4.3543 -1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5388 -2.6134 -0.0792 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