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
5.7838 1.9205 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3649 0.5349 1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6655 0.5232 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6352 1.0488 -0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1924 1.1625 -2.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7889 -0.0032 -2.8825 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6350 -0.8334 -2.4525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3526 -0.0598 -2.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1800 -0.8915 -1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4219 -1.4742 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2529 -2.3149 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9848 -1.4651 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1833 -2.2744 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3810 -1.3542 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2342 -0.1826 1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4625 0.6644 1.3335 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6887 -0.0856 1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8367 0.8723 1.6856 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9382 1.7239 2.5907 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7422 0.8305 0.6717 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8222 1.6363 0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2412 2.6216 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9438 2.6385 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0567 1.8762 3.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6945 2.2538 1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2282 -0.1357 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6573 0.1613 2.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3782 -0.5245 0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7596 1.1456 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8993 2.0947 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6264 0.5152 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0574 1.6448 -2.6795 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4128 1.9812 -2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6317 -0.7110 -3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5192 0.3814 -3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8198 -1.5863 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4304 -1.5018 -3.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4421 0.7653 -1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1252 0.3543 -3.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2574 -0.2622 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9731 -1.7268 -2.6113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3372 -2.1076 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5751 -0.6409 0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1440 -3.1530 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5118 -2.7255 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2402 -1.1452 -1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7663 -0.6137 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3676 -3.0984 -0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9551 -2.6455 1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5234 -0.9499 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2780 -1.9604 0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3645 0.4718 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0016 -0.5017 2.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3038 1.5191 2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5942 1.0188 0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5940 -0.4371 2.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9289 -0.8911 1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4283 1.4064 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7562 2.9456 2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1374 3.1939 0.9283 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