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
-6.7280 -2.0460 1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9630 -2.6430 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8171 -2.1926 -0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5055 -2.6665 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2917 -2.3536 -0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7851 -0.9650 -1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6174 0.0509 -1.6859 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0140 1.3714 -2.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3969 2.1984 -0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1302 1.7239 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6482 2.7098 0.6825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6323 2.2289 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7007 2.1564 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0280 1.6608 0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0102 1.6817 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3813 1.2041 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3790 -0.2262 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -0.5314 1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0853 -0.7637 2.1876 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7877 -0.5553 0.0458 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1173 -0.8314 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6837 -2.0078 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6795 -1.5302 1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4643 -2.8633 2.3526 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9236 -1.2767 1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8868 -2.1917 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0234 -3.7333 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0109 -2.7402 -1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9909 -1.1497 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6004 -3.8113 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4023 -2.4222 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4203 -2.9895 -0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3744 -2.8016 -1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7601 -0.9651 -1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6110 -0.6639 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4707 0.3166 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1931 -0.2901 -2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7775 2.0250 -2.5645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2496 1.2268 -2.8904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2666 3.2538 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1599 2.3002 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3751 1.7057 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0973 0.7490 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4001 3.6485 0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4527 2.9005 1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4508 1.1844 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9011 2.8720 2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4578 1.4117 -0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9398 3.1497 -0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3301 2.3185 1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8717 0.6008 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5912 1.0181 -1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1080 2.7022 -0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8736 1.8821 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0192 1.2044 -0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0614 -0.8974 -0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7271 -0.3858 1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7205 0.0197 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7316 -2.1142 0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1001 -2.8673 -0.0453 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