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
2.2175 -0.3519 1.9783 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2124 -0.3735 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4710 -0.5718 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5701 -0.7215 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5347 -0.6079 -1.4651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0309 -0.2110 0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2225 -0.0150 0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1870 -1.0931 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9678 -1.6641 1.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8751 -2.6631 1.0628 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0303 -3.1329 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2474 -2.5577 -1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3357 -1.5563 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7199 1.3199 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1749 2.3736 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1816 3.6628 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 3.9089 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3871 2.8744 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9941 1.6017 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5064 -0.8691 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5092 -0.6933 1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7893 0.0466 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4459 -1.6235 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5407 -0.2100 -1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0567 -0.0199 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8529 -1.2971 2.3472 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4583 -3.0719 1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7490 -3.9308 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3750 -2.9367 -2.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7381 -1.1342 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1967 2.2186 0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 4.4547 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7826 4.9287 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3932 3.1145 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7071 0.8018 -0.1645 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