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
2.4776 -1.2123 -0.9755 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3316 -0.3691 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5138 0.1129 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6912 -0.3551 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4191 1.1191 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0522 0.0550 0.2272 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1051 -0.4241 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0190 -1.1359 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5924 -2.3425 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4400 -3.0436 0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7528 -2.5381 2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1988 -1.3309 2.5333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3433 -0.6360 1.7041 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7355 0.6808 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9382 1.9169 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5309 2.9259 -1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 2.7610 -2.6451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7628 1.5268 -3.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1630 0.5034 -2.5064 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5664 -0.0004 0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8334 -1.0813 -0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 2.0938 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1331 0.7876 2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 1.1176 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2731 -1.1499 -1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3417 -2.7374 -0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8729 -3.9774 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4150 -3.0386 2.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4324 -0.9001 3.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9152 0.3231 2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6130 2.0665 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6880 3.8846 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4276 3.5269 -3.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0706 1.3170 -4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0245 -0.4462 -2.9844 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