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
-6.4650 -0.7873 2.3311 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3912 -0.1284 1.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5172 0.6028 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6639 -0.4539 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7643 0.1171 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8436 1.1367 -0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9879 0.5880 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1355 -0.5308 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2570 -0.0337 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4138 -1.2198 -1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4928 -0.7911 -2.8627 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4494 0.3002 -2.4765 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3102 -0.2118 -1.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2811 0.8582 -0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1242 0.3763 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9017 -0.8326 -0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7908 -1.3611 0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8065 -0.4048 1.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9706 0.7617 0.9150 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6968 -0.7385 2.4096 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6638 0.1438 2.8591 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4238 0.9857 3.8381 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0281 -0.8859 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5805 -0.1402 2.4684 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1693 -1.8063 2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9286 -0.9120 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0566 0.6125 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8980 1.3539 0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1912 1.1219 -0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1078 -0.9631 0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3176 -1.2075 -0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1682 -0.6760 -1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3527 0.6346 -2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2452 1.5657 -1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4803 1.9857 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5661 0.2478 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2999 1.4091 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4913 -0.9587 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7931 -1.3473 -0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8888 0.2262 -2.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5774 0.7678 -0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0818 -1.6551 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 -2.0068 -2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1420 -0.4741 -3.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1143 -1.6773 -3.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1125 0.4961 -3.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9611 1.2530 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8549 -1.1061 -1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6945 -0.4919 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7035 1.7591 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8865 1.1978 -1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4658 0.0952 1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7275 1.2271 0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1467 -1.6610 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4467 -0.7490 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3024 -2.2613 0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1384 -1.7353 1.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6253 0.1325 2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4406 0.9919 4.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1987 1.6601 4.1648 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