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
1.9886 2.1718 -0.1126 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9294 1.1601 -0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8625 0.8715 -1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7519 -0.2218 -2.6428 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9857 1.8019 -2.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9057 0.2570 -0.5770 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0626 0.4205 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4271 0.6155 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4755 -0.1036 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7491 0.0560 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0353 0.8897 -1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9606 1.5840 -1.6491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6846 1.4485 -1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0522 -0.7040 1.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 -2.0238 1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0248 -3.0602 1.9624 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0354 -2.7754 3.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1043 -1.4615 3.7104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1120 -0.4371 2.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4101 -0.4763 -3.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9428 -0.8972 -2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8708 1.2373 -2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2313 2.3472 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6413 2.5025 -3.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1991 1.3867 0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2779 -0.7694 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5406 -0.5229 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0167 1.0152 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1553 2.2402 -2.4689 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8644 1.9947 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0638 -2.2635 -0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0782 -4.1012 1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0308 -3.5474 4.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1520 -1.2106 4.7418 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1661 0.5754 3.1042 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