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
1.9398 -1.9250 0.9306 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1386 -0.9587 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4682 -0.6477 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6413 0.3828 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6734 -1.4298 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0725 -0.1984 -0.2278 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2589 -0.3984 0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1633 -0.7336 -0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1272 -0.0398 -2.1534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9674 -0.3496 -3.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8856 -1.3743 -3.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9402 -2.0729 -1.9075 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0870 -1.7540 -0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7784 0.7334 0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5731 2.0499 0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0371 3.1099 1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7570 2.8991 2.5118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9759 1.5992 2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5046 0.5407 2.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7943 0.9940 -1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6068 0.6616 -1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5445 -1.7890 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7359 -2.2935 -0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5980 -0.8344 -0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2515 -1.2891 0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4068 0.7546 -2.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9280 0.2048 -4.1436 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5617 -1.6457 -3.8883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6379 -2.8880 -1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1618 -2.3291 0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0046 2.2168 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8687 4.1504 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1338 3.7485 3.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5322 1.4119 3.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6707 -0.5065 2.4494 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