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
6.4611 -0.9211 1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3993 -0.5537 2.6523 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2027 0.9194 2.7058 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8304 1.6613 1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5828 1.4149 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3441 0.1192 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9607 0.1020 -0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8864 1.1380 -1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6342 1.2505 -2.3873 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2466 0.1319 -3.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0038 -1.2132 -2.7901 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9673 -1.6005 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3963 -1.2827 -1.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8007 0.1299 -1.9193 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5756 0.7002 -0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4118 -0.0698 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8757 -0.0240 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5799 -0.8071 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9262 -1.3643 2.1399 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9631 -0.9526 1.2699 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6284 -1.6787 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0318 -1.1032 3.3298 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9256 -1.8803 1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1987 -0.0882 1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0150 -1.0060 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9024 -0.8389 3.6523 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5426 -1.1938 2.5508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5727 1.1885 3.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2219 1.3329 3.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7044 1.5872 0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8063 2.7814 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6590 1.7089 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6061 2.1937 -0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0568 0.0253 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4168 -0.7857 0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8009 -0.9351 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1987 0.2788 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0816 2.1365 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7452 1.0033 -2.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1523 1.6361 -1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8206 2.1824 -3.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5538 0.4876 -3.9779 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1219 0.0425 -4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3755 -1.7715 -3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9354 -1.8510 -2.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8867 -2.7292 -1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6290 -1.1477 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6432 -1.6644 -3.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0183 -1.9461 -1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8980 0.2446 -2.1898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2767 0.7440 -2.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7837 1.7684 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5296 0.5300 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0813 -1.1223 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2600 0.3662 1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1644 -0.4835 -0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2589 1.0210 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8106 -2.7201 2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5517 -1.6800 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8461 -0.0614 3.4864 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