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
2.3291 0.5848 1.6316 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2676 0.2076 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5176 0.0189 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4789 -0.3726 -1.5415 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8346 0.2530 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.0058 -0.1122 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1910 0.1993 0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0251 1.2485 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2317 1.2969 -1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0222 2.2952 -1.9595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6013 3.2379 -1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4128 3.2158 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6376 2.2317 0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9211 -1.0894 0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2500 -2.2441 1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8423 -3.4769 1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1901 -3.5906 1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8918 -2.4575 0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2798 -1.2178 0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5232 -0.5425 -2.0027 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4070 -0.5239 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5220 0.8464 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6965 0.7880 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3077 -0.7159 0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0262 0.5311 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7810 0.5563 -2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1841 2.3338 -3.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2301 4.0467 -1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8727 3.9684 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4691 2.1869 1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8378 -2.1184 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2340 -4.3124 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7155 -4.5505 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9740 -2.5186 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 -0.3220 0.2494 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