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
2.1102 0.4345 -1.7224 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2253 0.4276 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5140 0.6384 0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6711 0.6374 1.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7027 0.8636 -0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0576 0.2089 0.2527 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2066 0.0023 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7042 -1.3697 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0820 -2.4811 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4000 -3.7638 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7207 -3.9131 0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5449 -2.8103 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -1.5361 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1829 1.0374 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9824 1.6123 -0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9007 2.5738 -0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0870 3.0335 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3072 2.4817 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3766 1.5051 1.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6398 0.7963 1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8238 0.4756 2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4115 1.5404 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4261 1.2919 -1.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1988 -0.1265 -0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0170 0.0591 -1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1195 -2.3966 -0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2098 -4.6518 -0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1024 -4.9205 0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5859 -2.9171 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6902 -0.6745 0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8368 1.2504 -2.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4879 2.9731 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8167 3.7953 0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4521 2.8456 2.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7694 1.0767 2.0598 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