Monomers
Acrylic acid cyclododecyl ester
Identifiers
IUPAC name
cyclododecyl prop-2-enoate
InchI
InChI=1S/C15H26O2/c1-2-15(16)17-14-12-10-8-6-4-3-5-7-9-11-13-14/h2,14H,1,3-13H2
InchI Key
OLYPZOMHOKXSGU-UHFFFAOYSA-N
SMILES
C=CC(=O)OC1CCCCCCCCCCC1
Canonical SMILES
C=CC(=O)OC1CCCCCCCCCCC1
Isomeric SMILES
C=CC(=O)OC1CCCCCCCCCCC1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H26O2
Heavy Atom Count
17
Molecular Weight
238.371
Exact Molecular Weight
238.1933
Valence Electrons
98
Radical Electrons
0
tPSA
26.3
MolLogP
4.3889
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
43 43 0 0 0 0 0 0 0 0999 V2000
5.4249 -0.0310 1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2633 0.1422 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9606 0.0677 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8760 0.2423 -1.8815 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 -0.1913 0.0468 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5168 -0.2707 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9702 -1.6766 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2019 -2.0162 -1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 -2.7331 -0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1716 -1.8686 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0613 -0.9521 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4448 0.2848 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9063 1.5495 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6972 2.0867 0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7017 2.7491 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6841 2.0920 -0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5186 0.6600 0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4042 0.0342 1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5607 -0.2361 1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1333 0.3481 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4953 -0.1113 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6698 -1.6870 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8128 -2.3740 -0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1938 -2.7490 -1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5612 -1.1616 -1.7283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8370 -3.5328 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -3.2479 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5139 -1.2425 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8072 -2.5357 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9356 -1.5345 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4884 -0.6093 -1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5531 0.3328 0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1614 0.1356 1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6665 1.3991 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7075 2.3161 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0777 2.8727 1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3167 1.2784 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0883 2.6600 -1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6258 3.8415 -0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1213 2.2278 -1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3133 2.6517 0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5426 0.4433 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4627 0.3456 -0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 6 1 0
1 18 1 0
1 19 1 0
2 20 1 0
6 21 1 0
7 22 1 0
7 23 1 0
8 24 1 0
8 25 1 0
9 26 1 0
9 27 1 0
10 28 1 0
10 29 1 0
11 30 1 0
11 31 1 0
12 32 1 0
12 33 1 0
13 34 1 0
13 35 1 0
14 36 1 0
14 37 1 0
15 38 1 0
15 39 1 0
16 40 1 0
16 41 1 0
17 42 1 0
17 43 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers