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
2.6108 0.2227 1.4818 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4008 0.1600 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5038 0.2173 -0.7271 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7391 0.3371 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2334 0.1409 -2.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0855 0.0330 -0.1635 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0056 -0.0266 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7533 -1.3067 0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1304 -1.2472 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9103 -2.3987 0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2238 -3.5959 0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8328 -3.6564 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1009 -2.5170 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8698 1.1415 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3689 1.9046 1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1762 3.0005 1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4969 3.3475 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0237 2.6176 -1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2156 1.5237 -0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9503 0.3936 0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5512 0.3800 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8102 0.9223 -2.7165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4548 -0.8870 -2.5642 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1378 0.2915 -2.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3771 0.0439 1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6880 -0.3212 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9871 -2.3623 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7940 -4.5015 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3254 -4.6109 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9956 -2.5439 0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1014 1.6120 2.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5594 3.5883 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1340 4.2087 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3078 2.9356 -2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 0.9527 -1.6620 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