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
-8.4969 -1.6494 1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2593 -0.7684 1.7717 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0672 -1.5012 2.3249 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8119 -0.7012 2.1659 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5224 -0.4107 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2885 0.3884 0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0679 -0.3225 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7848 0.4628 0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6387 0.6467 -0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6470 1.4251 -1.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6768 1.5426 -2.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8841 2.2854 -3.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1928 1.5710 -2.6461 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2519 0.2072 -3.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4677 -0.5662 -2.8927 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7937 -0.9791 -1.5256 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9900 0.0027 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4366 -0.6982 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5804 -1.9426 0.8401 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6553 0.1205 1.9302 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0625 -0.4591 3.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3681 -0.5821 3.3215 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3201 -1.1906 1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3011 -2.6499 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7575 -1.6911 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2091 -0.5907 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4165 0.1665 2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2583 -1.6690 3.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9451 -2.4839 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9345 -1.2459 2.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9621 0.2796 2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4036 0.1893 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5007 -1.3374 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2597 0.5847 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3251 1.3714 1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9737 -1.3480 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2087 -0.4225 2.0983 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8012 1.4179 1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0936 -0.0974 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4607 1.2548 -1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5227 -0.3423 -1.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6544 2.3981 -0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4728 0.7608 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2089 2.1504 -2.9472 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5810 0.5617 -3.0597 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8850 3.3220 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9335 2.2781 -4.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1751 1.6343 -1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9823 2.1842 -3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3490 -0.4156 -2.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1402 0.2384 -4.3228 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3505 0.0148 -3.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5091 -1.5039 -3.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7602 -1.6052 -1.5653 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0395 -1.7852 -1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9801 0.3747 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6609 0.8262 -0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3412 -0.7840 3.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1048 -0.2579 2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6867 -1.0347 4.2528 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