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
1.9153 1.0355 2.1208 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 0.4154 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4515 0.0745 0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5037 0.4181 1.3075 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6060 -0.6674 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0106 0.0553 0.3001 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3269 0.3708 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0678 -0.9100 0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9550 -1.8418 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6114 -3.0403 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4318 -3.3599 0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5712 -2.4623 1.8566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8988 -1.2580 1.8301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8756 1.2696 -0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1418 2.3164 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6304 3.1667 -1.8011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9031 2.9522 -2.2797 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6586 1.8898 -1.7753 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1497 1.0445 -0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3645 0.9484 2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4910 0.1686 0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7137 0.0371 -1.5612 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7758 -1.3868 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5666 -1.2267 -0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3034 0.9083 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3153 -1.6208 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4911 -3.7549 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9664 -4.3223 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2246 -2.7038 2.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0264 -0.5688 2.6506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8512 2.4760 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0754 3.9928 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3130 3.6148 -3.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6464 1.7479 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7755 0.2208 -0.4283 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