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
2.2957 -0.1412 1.7826 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2898 0.1381 0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5392 0.4342 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5423 0.7255 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 0.4018 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0578 0.1426 -0.0763 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1621 -0.1447 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.0295 0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7761 1.4344 1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6262 2.5177 1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8116 3.2516 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1268 2.8698 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2786 1.7847 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8169 -1.3575 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3698 -2.3478 0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9803 -3.4779 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0476 -3.6377 -1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5063 -2.6697 -1.8916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9000 -1.5465 -1.3678 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6301 0.7483 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4652 0.9444 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2191 1.4313 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6565 -0.0216 1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5708 -0.2322 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0493 -0.3685 1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6315 0.8617 2.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1611 2.8161 2.5368 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4781 4.1094 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2849 3.4581 -1.5132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7536 1.5053 -1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3204 -2.2285 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4081 -4.2433 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5239 -4.5195 -1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -2.8372 -2.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4982 -0.8306 -2.0692 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