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
1.8277 0.0040 -2.3232 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0398 -0.2467 -1.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4063 -0.5278 -0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6811 -0.7959 0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4998 -0.5098 -1.7011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9724 -0.2421 -0.2551 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3617 0.0232 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7393 1.3011 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9493 1.4107 0.7386 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2396 2.6136 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3619 3.6741 1.3497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1381 3.5636 0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1361 2.3786 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2961 -1.0449 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2168 -1.5983 1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0841 -2.5930 1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0399 -3.0517 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1444 -2.5224 -0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2611 -1.5139 -1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6858 -1.0011 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8964 -0.8097 1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6247 -1.4789 -2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2405 0.2273 -2.5101 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4554 -0.1440 -1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4870 0.2377 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6636 0.5803 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1967 2.7148 1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5794 4.6220 1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5443 4.4035 0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0868 2.2714 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4501 -1.2135 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9932 -3.0061 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7225 -3.8240 0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8637 -2.8356 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3090 -1.0664 -2.0706 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