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
2.1278 -0.9440 1.8665 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2975 -0.2535 0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6263 0.1722 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6606 -0.1432 1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7785 0.9751 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1572 0.0434 0.0857 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1372 -0.3782 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7707 -1.2484 -0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1578 -2.2887 -1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8162 -3.0667 -2.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1339 -2.8155 -2.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7744 -1.7742 -1.7784 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 -1.0119 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 0.7857 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 1.9061 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8852 2.9667 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6701 2.9107 1.4454 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6288 1.7948 2.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8120 0.7622 1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6593 0.1947 0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6215 -0.7216 2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1614 0.4664 -1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3985 1.9982 -0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8369 0.9882 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0129 -0.9535 1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8704 -2.4948 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3231 -3.9036 -2.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 -3.4246 -3.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8045 -1.5856 -2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6281 -0.1987 -0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4571 1.9640 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9434 3.8626 -0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3134 3.7309 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2688 1.7959 3.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8098 -0.1109 2.5859 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