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
4.3583 0.1777 3.4483 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5767 0.7445 2.8333 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7124 0.6991 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6957 1.4043 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2929 0.9353 0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1124 -0.4748 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5064 -0.6594 -1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9576 0.1007 -2.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5280 0.0603 -2.7662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5866 0.6046 -1.7634 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8697 0.6115 -2.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3743 -0.7389 -2.5411 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2971 -1.6574 -1.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9337 -1.3782 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3944 -1.2043 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9928 -0.0269 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4935 -0.0157 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8745 0.1501 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0473 0.3804 1.7182 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2299 0.0545 1.2083 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5087 0.2221 2.5535 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7531 1.4284 3.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8518 -0.6371 2.9291 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6341 0.9895 3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6883 -0.2466 4.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6642 1.8063 3.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5233 0.2705 3.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7051 1.2042 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8242 -0.3823 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0065 1.5182 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6880 2.4836 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6927 1.5997 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8203 1.0145 1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1466 -0.8656 0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8518 -1.1396 0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6445 -0.6772 -1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2818 -1.7724 -1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2984 1.1962 -2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5137 -0.2499 -3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3322 0.5079 -3.7985 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2423 -1.0337 -2.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6489 0.1139 -0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8066 1.7048 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9202 1.2669 -3.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4323 1.1117 -1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 -0.7781 -3.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6133 -1.1764 -3.3103 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1845 -1.8432 -1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7049 -2.6673 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6679 -2.2469 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4256 -0.5055 0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7741 -1.2354 0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9237 -2.1140 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6436 0.9092 -0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7436 0.0841 -1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9112 -0.9917 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9292 0.8354 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5266 -0.6313 3.2298 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7390 2.2796 2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9726 1.5812 4.0511 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