Monomers
Vinyl stearate
Identifiers
IUPAC name
ethenyl octadecanoate
InchI
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3
InchI Key
AFSIMBWBBOJPJG-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C20H38O2
Heavy Atom Count
22
Molecular Weight
310.522
Exact Molecular Weight
310.2872
Valence Electrons
130
Radical Electrons
0
tPSA
26.3
MolLogP
6.9346
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
60 59 0 0 0 0 0 0 0 0999 V2000
-8.3436 1.2680 1.6624 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2297 0.5996 0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9211 1.3945 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9165 0.5643 0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5618 1.2163 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6319 0.3515 -0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4718 -1.0394 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5546 -1.8883 -0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1369 -1.2804 -0.9966 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6508 -2.2279 -1.8279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0410 -1.9565 -2.1704 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1033 -1.8615 -1.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0224 -0.7735 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9445 0.5383 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7750 1.7651 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6719 2.4050 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2090 1.8510 2.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1585 0.7388 2.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0960 -0.2363 2.8456 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1772 0.6671 1.0876 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1018 -0.3326 0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9680 -1.4210 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3681 0.8246 2.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2562 2.3677 1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2995 0.9384 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9979 -0.4215 1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4450 0.5093 -0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0303 2.4065 0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5853 1.4797 2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3519 0.5088 -0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9085 -0.4216 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2102 1.2318 1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5677 2.2249 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6616 0.8635 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0801 0.2773 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4564 -1.5740 -0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0988 -1.0426 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8491 -2.0621 -1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4215 -2.8618 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 -1.1003 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2475 -0.3316 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0194 -2.4431 -2.7617 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5568 -3.2484 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3387 -2.7856 -2.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0627 -1.0583 -2.8949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1295 -1.7873 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0993 -2.8266 -0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9996 -0.8861 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2613 -0.9884 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0643 0.4638 -1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8724 0.6201 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5298 2.5802 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6901 1.7318 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5935 2.7480 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2107 3.4380 1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3684 1.5648 2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7277 2.6745 2.7309 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0346 -0.1856 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7989 -2.1401 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1058 -1.6306 -0.3457 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 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 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 2 3
1 23 1 0
1 24 1 0
1 25 1 0
2 26 1 0
2 27 1 0
3 28 1 0
3 29 1 0
4 30 1 0
4 31 1 0
5 32 1 0
5 33 1 0
6 34 1 0
6 35 1 0
7 36 1 0
7 37 1 0
8 38 1 0
8 39 1 0
9 40 1 0
9 41 1 0
10 42 1 0
10 43 1 0
11 44 1 0
11 45 1 0
12 46 1 0
12 47 1 0
13 48 1 0
13 49 1 0
14 50 1 0
14 51 1 0
15 52 1 0
15 53 1 0
16 54 1 0
16 55 1 0
17 56 1 0
17 57 1 0
21 58 1 0
22 59 1 0
22 60 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers