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
-2.1199 -0.1027 -1.9701 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2542 -0.2944 -0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5510 -0.6102 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6019 -0.6936 -0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6443 -0.8229 1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0976 -0.1860 0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1530 0.1180 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7065 1.3967 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6993 1.7558 1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2114 2.9436 1.7677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7657 3.8201 0.8272 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7947 3.5041 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2681 2.3063 -0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1154 -1.0018 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4095 -0.7725 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3329 -1.8073 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 -3.0779 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5774 -3.3346 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6753 -2.2733 -0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5083 -0.5337 -1.9976 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5702 -0.9289 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0885 -1.7334 1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6888 -0.9744 1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2048 0.0276 1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 0.2354 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2705 1.0739 2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2041 3.2218 2.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1767 4.7601 1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2180 4.1686 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2708 2.0181 -1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7800 0.2316 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3558 -1.6618 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5720 -3.9293 -0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2439 -4.3410 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3395 -2.5021 -1.0047 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