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
2.1356 -0.0612 1.9798 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2818 -0.1136 0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5754 -0.2046 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6640 -0.2359 0.8117 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6672 -0.2621 -1.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 -0.0781 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1755 0.0103 0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0212 -1.1670 0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7534 -1.7777 1.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5537 -2.8797 1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6358 -3.4017 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9203 -2.8187 -1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1204 -1.7139 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8379 1.2919 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8025 1.7157 -1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4182 2.9074 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0547 3.6561 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1046 3.2529 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4804 2.0571 1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6068 -0.1943 1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6235 -0.3037 0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0216 -1.2701 -1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4398 0.4530 -1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7305 -0.0103 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0048 0.0409 1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6842 -1.3574 2.3216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0795 -3.2773 1.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2750 -4.2695 -0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0035 -3.2506 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 -1.2696 -1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2926 1.1147 -1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4131 3.2778 -2.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5488 4.6045 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6009 3.8287 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5009 1.7060 2.2252 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