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
1.8754 -1.2936 1.7439 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1105 -0.7347 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4574 -0.5970 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6697 -0.0052 -1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6288 -1.1206 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0135 -0.2461 -0.0506 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2952 -0.3465 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2140 -1.0247 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1097 -1.9672 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9863 -2.6153 -0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9654 -2.3131 -2.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0640 -1.3676 -2.7142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1896 -0.7197 -1.8478 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7541 1.0429 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5079 2.1252 -0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9377 3.4082 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6226 3.5936 1.4591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8871 2.5398 2.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4461 1.2886 1.9406 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6549 0.1092 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8277 0.3792 -1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9223 -0.3596 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5021 -1.2816 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3638 -2.0647 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2388 -0.8812 1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1581 -2.2330 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6958 -3.3592 -0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6464 -2.8113 -2.9916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0641 -1.1428 -3.7855 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4950 0.0234 -2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0302 1.9913 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7422 4.2578 -0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 4.5902 1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4238 2.6839 3.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6496 0.4512 2.6026 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