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
2.0531 -0.0432 -1.9970 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2457 0.0600 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5911 0.1440 -0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6114 0.1132 -1.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8254 0.2652 1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1105 0.0850 0.0345 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1896 -0.0002 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8739 -1.2608 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5767 -2.0392 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2111 -3.1907 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1740 -3.6314 0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4976 -2.9090 1.5619 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8648 -1.7451 1.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9964 1.1953 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7576 1.8206 -1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5284 2.9333 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5324 3.4367 0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7802 2.8286 1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0049 1.7052 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6405 0.1757 -0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4395 0.0246 -2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1151 -0.6962 1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6499 0.9964 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8870 0.5843 1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0622 -0.0829 -1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5968 -1.6747 -2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7386 -3.7475 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6746 -4.5480 0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4920 -3.2902 2.5715 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3338 -1.1798 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7733 1.4414 -2.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1116 3.3803 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1502 4.3157 0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8099 3.2617 2.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4385 1.2717 1.9069 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