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
2.0791 -2.1134 0.0179 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7015 -1.3866 -0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2960 -1.5537 -2.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2308 -2.4673 -2.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8356 -0.6874 -3.3644 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7281 -0.4533 -0.6811 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 -0.2605 0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3091 -0.6235 0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7263 -1.7766 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0665 -2.1278 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0215 -1.3106 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5953 -0.1592 1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2706 0.1804 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3595 1.0802 1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2254 2.2008 0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4301 3.4945 0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7900 3.6218 2.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 2.5080 2.9164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7183 1.2320 2.4408 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5596 -3.0947 -1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7004 -2.6281 -3.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7433 -0.8169 -3.5692 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4080 -0.9607 -4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0291 0.3850 -3.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6050 -0.9974 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 -2.4661 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4230 -3.0262 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0882 -1.5582 0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3141 0.5089 1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9283 1.0886 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0582 2.1307 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3155 4.3644 0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9636 4.6290 2.5222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2184 2.6602 3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8419 0.3840 3.1170 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