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
2.8009 0.8917 -0.6811 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4359 -0.0421 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3980 -0.8923 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6968 -0.7019 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9279 -1.9709 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 -0.2373 0.2342 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0877 0.5223 -0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7643 1.2579 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1107 2.5692 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9118 3.2021 1.2932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3702 2.5402 2.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0303 1.2207 2.6231 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2266 0.6090 1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7367 -0.2810 -1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2034 -1.5344 -0.9842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 -2.2953 -1.8536 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2949 -1.8002 -3.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8355 -0.5477 -3.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 0.1873 -2.5848 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0468 0.0938 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4133 -1.3280 1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6136 -2.8577 1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 -2.3437 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9046 -1.6918 2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6143 1.2928 -1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7758 3.1407 -0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2049 4.2476 1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0111 3.0618 3.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4132 0.7440 3.5136 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9703 -0.4389 1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9856 -1.9734 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3470 -3.2727 -1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8957 -2.3643 -3.8225 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0850 -0.1750 -4.4331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7291 1.1674 -2.9042 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