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
-1.9234 -0.8133 -2.0254 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0276 -0.9499 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2026 -1.5889 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1446 -2.0160 -1.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3329 -1.7544 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9812 -0.4658 -0.0112 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1636 0.1575 -0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3968 -0.6318 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5832 -0.0837 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6841 -0.8698 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6361 -2.2451 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4515 -2.8105 -0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3585 -1.9955 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2999 1.5621 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6104 2.5812 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7434 3.8989 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5559 4.2258 0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2447 3.2312 1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1150 1.9133 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0405 -2.5021 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0560 -1.8990 -2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4275 -2.8027 1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4691 -1.3131 1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2622 -1.2401 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0117 0.1540 -1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6401 0.9707 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6217 -0.4440 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5028 -2.8702 0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4167 -3.8824 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4470 -2.5036 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7564 2.3198 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9914 4.6788 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6614 5.2657 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1066 3.5363 2.6217 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1313 1.1868 1.9614 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