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
2.0694 -0.6246 -1.9220 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1087 -0.8455 -0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2609 -1.4846 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3047 -1.7184 1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3931 -1.8659 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0041 -0.4519 0.0571 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1347 0.1706 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3526 1.5278 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2232 1.7666 1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4317 3.0386 1.8586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7688 4.0768 1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8946 3.8129 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6924 2.5511 -0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3781 -0.6476 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7012 -1.2783 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8749 -2.0303 0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7444 -2.1679 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4338 -1.5427 -1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2743 -0.8028 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 -1.4519 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1704 -2.1927 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0953 -2.6638 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2430 -2.1683 -0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7225 -1.0027 -1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0766 0.2536 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0449 0.9366 2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3268 3.2139 2.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9370 5.0856 1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1623 4.6183 -1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7789 2.2992 -1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0242 -1.1750 1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0682 -2.4996 1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6380 -2.7623 0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1323 -1.6655 -2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0222 -0.3088 -2.3033 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