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
2.1314 0.4285 1.8076 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1954 0.1616 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5085 0.0777 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6041 -0.2039 -1.3492 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7297 0.3091 0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0155 -0.0441 -0.1151 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2592 0.0340 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0046 -1.2284 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6769 -1.7069 1.5735 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3829 -2.8679 1.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4552 -3.6362 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8147 -3.2191 -0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0934 -2.0281 -0.6825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9905 1.1735 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3059 1.1333 -0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9401 2.2546 -1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2528 3.4403 -1.1704 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9399 3.4956 -0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3136 2.3665 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7577 -0.3785 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5882 -0.2574 -1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5938 -0.2212 0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6104 0.0128 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0359 1.3890 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0795 0.2816 1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6101 -1.0811 2.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8785 -3.1613 2.5287 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0328 -4.5618 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8890 -3.8480 -1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6031 -1.7293 -1.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8339 0.2165 -0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9758 2.2308 -1.3504 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7659 4.3020 -1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3841 4.4278 -0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7118 2.4376 0.0710 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