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
1.9916 0.7319 2.1263 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1986 0.4215 0.9252 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5413 0.3199 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5711 0.5601 1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8191 -0.0418 -1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0565 0.1812 0.1572 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2531 0.2769 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8364 -1.1005 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5315 -1.6557 1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0500 -2.9253 1.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9121 -3.6883 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2160 -3.1421 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6914 -1.8711 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0960 1.2199 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 2.4542 -0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4231 3.3364 -1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7138 2.9642 -1.5499 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1943 1.7477 -1.1685 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3864 0.8828 -0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3913 0.8256 2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5980 0.5072 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9519 0.1748 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1664 -1.0824 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6599 0.6055 -1.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2662 0.5582 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6569 -1.0785 2.5567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5968 -3.3242 2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3252 -4.6899 0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0930 -3.7335 -1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1554 -1.4920 -1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3615 2.7288 -0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9997 4.2839 -1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3037 3.6816 -2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1869 1.4391 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7866 -0.0761 -0.1513 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