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
-8.2454 0.6222 1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3915 -0.5068 0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1149 -0.6475 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2958 -1.7527 1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9443 -1.5118 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1498 -0.2187 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7563 0.0424 -1.9395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9822 1.3249 -2.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7437 1.2509 -1.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 0.1315 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4245 0.0339 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2747 1.2632 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4897 1.0839 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2915 -0.0902 -0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5080 -0.2410 0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4145 0.9534 0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5869 0.7053 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4014 -0.4145 0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1894 -0.9440 -0.2735 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4601 -0.9067 1.6587 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2281 -1.9603 1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3066 -1.6967 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7077 0.2505 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0028 0.9057 0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5409 1.4589 1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9516 -1.4564 0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0972 -0.2032 -0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4066 -0.8734 2.6853 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6014 0.3253 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3223 -1.7837 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7417 -2.7594 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2140 -2.3011 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8141 -1.4749 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2722 -0.3694 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7234 0.6454 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1808 -0.7867 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7153 0.2073 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5944 2.1791 -1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7703 1.6179 -3.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9988 1.1379 -0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1776 2.2322 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5260 0.2732 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3126 -0.8576 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1662 -0.2654 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9928 -0.8310 -1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7049 2.1793 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5773 1.3875 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1469 0.9521 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0492 2.0504 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5776 -0.0386 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6855 -1.0219 -0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1571 -0.3487 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0716 -1.1493 0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7970 1.1298 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8623 1.8908 0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1362 0.3899 2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2008 1.6243 1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9187 -2.9631 1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6134 -0.6892 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8962 -2.5214 0.1163 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