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
-2.2778 -1.0615 1.4139 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2786 -0.4573 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5475 -0.2018 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6287 0.4302 -1.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7869 -0.6772 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 -0.0649 -0.2017 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1757 -0.3162 0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7948 0.9879 0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3619 1.1823 2.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9437 2.3699 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9813 3.4225 1.5954 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4320 3.2685 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8440 2.0674 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0998 -1.1153 -0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8046 -2.1620 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6848 -2.9481 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8889 -2.6924 -1.8545 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1959 -1.6553 -2.4227 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3080 -0.8637 -1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5897 0.5883 -1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7514 0.7726 -1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6514 -0.0892 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6404 -0.4684 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9018 -1.7647 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0081 -0.8672 1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3329 0.3418 2.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3682 2.4471 3.4579 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4420 4.3620 1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4574 4.1052 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4219 1.9879 -1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6392 -2.3559 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2004 -3.7460 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5877 -3.3265 -2.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3457 -1.4420 -3.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7912 -0.0577 -2.2194 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