Monomers
2-Ethylhexyl benzylidenecyanoacetate
Identifiers
IUPAC name
2-ethylhexyl 2-cyano-3-phenylprop-2-enoate
InchI
InChI=1S/C18H23NO2/c1-3-5-9-15(4-2)14-21-18(20)17(13-19)12-16-10-7-6-8-11-16/h6-8,10-12,15H,3-5,9,14H2,1-2H3
InchI Key
USERUWOLIUCHJH-UHFFFAOYSA-N
SMILES
CCCCC(COC(=O)C(=Cc1ccccc1)C#N)CC
Canonical SMILES
CCCCC(CC)COC(=O)C(=CC1=CC=CC=C1)C#N
Isomeric SMILES
CCCCC(CC)COC(=O)C(=CC1=CC=CC=C1)C#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C18H23NO2
Heavy Atom Count
21
Molecular Weight
285.387
Exact Molecular Weight
285.1729
Valence Electrons
112
Radical Electrons
0
tPSA
50.09
MolLogP
4.3532
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
44 44 0 0 0 0 0 0 0 0999 V2000
5.1317 3.4902 -0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1026 2.5651 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2957 1.2102 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6194 0.0395 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1819 -0.2435 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3968 0.5944 0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0044 0.2386 0.8574 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5183 -0.9502 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2692 -2.0237 1.0765 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9037 -1.4202 0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9223 -0.5842 0.8238 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2975 -0.9637 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8956 -1.9675 1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2078 -2.2623 1.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0609 -1.6886 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4805 -0.6879 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1748 -0.3917 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0936 -2.8737 1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2321 -3.9210 1.4362 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4661 -0.3973 -1.4161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4686 0.8479 -2.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6893 4.0832 -1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5382 4.1057 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9473 2.8252 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1351 3.0153 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2619 2.6058 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3543 1.3821 -1.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4292 1.0237 -0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9719 -0.1174 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1609 -0.9194 -0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1318 -1.2931 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5604 1.6627 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 0.3301 1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6625 0.5028 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2646 -2.4604 2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6086 -3.0836 2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0828 -1.9740 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1151 -0.1897 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7236 0.3838 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7585 -1.3157 -1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3608 -0.5077 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6448 0.7403 -3.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3805 0.9162 -2.8323 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1903 1.7281 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 2 3
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
10 18 1 0
18 19 3 0
5 20 1 0
20 21 1 0
17 12 1 0
1 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
2 26 1 0
3 27 1 0
3 28 1 0
4 29 1 0
4 30 1 0
5 31 1 0
6 32 1 0
6 33 1 0
11 34 1 0
13 35 1 0
14 36 1 0
15 37 1 0
16 38 1 0
17 39 1 0
20 40 1 0
20 41 1 0
21 42 1 0
21 43 1 0
21 44 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers