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
2.2249 -0.0125 1.7919 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2167 -0.3367 0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4036 -0.7955 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3231 -1.1135 -1.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7079 -0.9197 0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0054 -0.2206 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1604 0.2305 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1714 -0.8571 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9107 -1.1191 1.7582 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8538 -2.1202 1.8124 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1104 -2.9137 0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3849 -2.6586 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4416 -1.6581 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6408 1.4438 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6850 1.5535 -1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1329 2.6746 -2.1406 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5636 3.7538 -1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5370 3.6884 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0823 2.5502 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1929 -1.4562 -1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4091 -1.0508 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5460 -0.7172 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7368 -0.2171 1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7597 -1.9493 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0570 0.4614 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7524 -0.5266 2.6558 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4377 -2.3387 2.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8580 -3.7123 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5979 -3.2970 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8997 -1.5010 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3436 0.7065 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1611 2.7443 -3.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9318 4.6756 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8686 4.5194 0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0577 2.4895 1.7072 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