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
1.9534 0.8106 2.0599 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2007 0.4940 0.8692 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 0.4639 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5659 0.7789 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7198 0.0782 -1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1058 0.1630 0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2253 0.1662 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0874 1.1294 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3423 0.7619 -0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1743 1.6847 -1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7202 2.9685 -1.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4691 3.3147 -0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6629 2.4105 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8100 -1.2069 0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5936 -1.9825 -0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1161 -3.2493 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8400 -3.7281 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0433 -2.9299 1.6084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5276 -1.6678 1.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5895 0.7730 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3875 1.0581 2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8412 -0.4454 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8960 0.9723 -1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6111 -0.5681 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1606 0.4826 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7599 -0.2284 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1683 1.4446 -1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3856 3.6865 -1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1095 4.3107 -1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3563 2.6910 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0384 -1.6403 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9771 -3.9127 -1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2636 -4.7404 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6070 -3.3187 2.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6764 -1.0251 2.4991 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