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
1.3699 1.7918 1.9638 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 1.4574 0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0127 1.8913 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8428 2.6613 0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3900 1.4587 -1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8901 0.6444 0.0881 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3460 0.1772 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2490 -1.2984 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7253 -1.9678 1.8005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6426 -3.3309 1.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0634 -4.0924 0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4232 -3.4650 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3329 -2.1073 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4911 0.5894 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6372 1.0628 0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7446 1.4657 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7186 1.3966 -1.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5572 0.9162 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4581 0.5178 -1.6483 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7867 3.0074 0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5707 2.9793 1.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4442 1.2826 -1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8868 0.4725 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0474 2.1831 -1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4761 0.5948 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1841 -1.3347 2.5711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0230 -3.8190 2.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0171 -5.1883 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8773 -4.0499 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7113 -1.5908 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6504 1.1149 1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6234 1.8309 0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5818 1.7105 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5948 0.8844 -3.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5842 0.1536 -2.1765 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