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
7.7843 -1.6589 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6672 -2.5990 -1.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6630 -2.7580 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9982 -1.4602 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2617 -0.8587 -0.9745 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5934 0.4471 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5898 0.2639 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9156 1.5411 0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1496 2.1799 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5044 3.4227 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 3.4521 1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7066 2.7143 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5723 1.2366 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9425 0.5454 1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7718 1.0004 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1347 0.2918 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9846 -1.2098 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3171 -1.8653 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9370 -2.0050 1.2113 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9552 -2.3562 -1.0214 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2079 -2.9707 -0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2759 -2.2255 -1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1112 -1.7519 0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5435 -0.5957 -1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6597 -1.9279 -1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1329 -3.6140 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1489 -2.2546 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1080 -3.1926 0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8916 -3.4809 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7081 -0.7631 0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2052 -1.7450 0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0268 -0.6016 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5458 -1.5760 -1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4230 1.0930 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2135 0.9843 -1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8787 -0.5300 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1835 -0.0582 1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6845 2.3076 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2681 1.4140 1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6026 1.4727 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0348 2.5405 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0854 3.9620 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3633 4.1395 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1090 3.0723 2.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6380 4.5379 1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2505 2.9638 2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3505 3.1143 0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0280 0.8968 2.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1000 0.9415 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3729 0.7989 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7179 -0.5305 1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2918 0.8450 -0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0337 2.0941 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6011 0.5797 1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7652 0.7004 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4841 -1.5104 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4535 -1.5607 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2947 -4.0452 -0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1891 -1.1737 -1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2461 -2.6742 -0.9986 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