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
-8.4882 -0.0639 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4311 -1.1020 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3976 -0.5291 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2833 -1.4962 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5316 -1.9315 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8844 -0.7727 0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8930 -0.0500 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 1.0752 0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3205 1.8800 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1965 0.9787 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7676 1.8804 -1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9254 1.0806 -1.7988 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6956 0.4506 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2390 1.4556 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9679 0.7987 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1100 0.0018 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9022 -0.6689 2.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0036 -1.4242 1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8325 -2.0877 2.0624 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1886 -1.4490 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1818 -2.1263 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3369 -1.5572 -0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6458 0.6047 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4438 -0.6128 0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2826 0.5617 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8547 -1.9984 -0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0061 -1.3719 1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0201 0.4641 -0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9244 -0.3430 -1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6470 -1.0369 -1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7449 -2.3923 -1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7944 -2.6943 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2199 -2.4131 0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 -1.1436 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6511 -0.0515 1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3508 0.3049 -1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0906 -0.7711 -0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1092 1.7893 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 0.6881 1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8569 2.2738 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9308 2.7202 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2557 0.5457 0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5821 0.2229 -1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1868 2.2878 -2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0084 2.7191 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5837 1.7151 -2.4112 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 0.2413 -2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5149 -0.1362 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0359 -0.2739 -0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0216 2.0423 -0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4925 2.2018 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2564 0.0685 1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2755 1.5273 2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7633 -0.7713 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8169 0.6649 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2683 0.0834 2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2291 -1.3983 2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0192 -3.1434 -0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5173 -0.5381 -0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1114 -2.0922 -1.3828 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