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
-1.1840 -1.8333 2.1308 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4373 -1.7096 0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4492 -2.5301 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1055 -3.4071 1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7347 -2.3729 -1.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 -0.7945 0.1694 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2554 0.0552 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1473 1.4806 0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0207 2.3975 1.5398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3488 3.7216 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9039 4.1892 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0769 3.2903 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7044 1.9616 -0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5442 -0.2496 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7006 -0.3502 0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9260 -0.6377 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0162 -0.8293 -1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8801 -0.7320 -1.9564 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6531 -0.4442 -1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8931 -3.5145 2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8688 -4.0369 0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6385 -3.3422 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7757 -2.0003 -1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0822 -1.6099 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3340 -0.2048 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 2.1031 2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2163 4.4371 2.2092 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1974 5.2447 0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5081 3.6318 -1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8678 1.3085 -1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6410 -0.2023 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8237 -0.7163 0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9743 -1.0528 -1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9032 -0.8761 -3.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7717 -0.3746 -1.9702 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