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
-1.5400 -0.4338 2.5157 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9758 -0.0064 1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3635 0.3786 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2020 0.2711 2.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8054 0.8769 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0660 0.0934 0.3833 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2942 -0.2541 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1858 0.9318 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0008 1.8808 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8286 2.9724 -0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8862 3.1621 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0917 2.2298 1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 1.1438 1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6801 -1.3464 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2793 -1.3632 -1.7487 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6417 -2.3886 -2.6083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4213 -3.4294 -2.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8275 -3.4296 -0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4612 -2.3979 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8722 -0.0882 3.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2537 0.5404 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8175 0.4199 -0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1436 0.5359 -0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9526 1.9836 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4352 -0.6048 1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1651 1.7353 -1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6822 3.7173 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5520 4.0333 0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9185 2.3783 1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4113 0.3960 1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3375 -0.5758 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3262 -2.4030 -3.6502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7153 -4.2395 -2.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4416 -4.2442 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8251 -2.4757 1.0213 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