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
-7.5824 2.5594 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0926 2.7093 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5877 1.3966 -1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9042 0.3140 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4728 -1.0459 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9888 -1.1574 -0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2789 -0.8469 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7524 -0.9179 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2854 -2.2592 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1445 -2.4678 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1708 -2.2850 0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4377 -0.9693 1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5635 -1.0193 2.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8169 -1.4853 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2433 -0.5638 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4658 0.8299 1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8684 1.7515 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1408 1.3800 -0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8418 0.4342 -0.2471 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6086 2.1054 -1.7637 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8124 1.7244 -2.3297 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9406 2.2555 -1.8985 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0131 1.8867 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0437 3.5634 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7771 2.0991 0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8259 3.5748 -1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5882 2.7843 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1472 1.2426 -2.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5266 1.4984 -1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0170 0.3340 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4777 0.5483 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8182 -1.8111 0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0324 -1.2677 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6500 -0.6028 -1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8048 -2.2469 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4786 0.2226 0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6319 -1.5004 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3582 -0.1455 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4477 -0.6593 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7338 -3.0523 0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 -2.4825 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3217 -3.5356 -0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4966 -1.8648 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1457 -2.6707 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0457 -3.0140 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6334 -0.4453 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7883 -0.2474 0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2948 -1.7137 3.2036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6191 -0.0207 2.8278 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6214 -1.4135 2.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7705 -2.4995 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2171 -1.0144 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5714 -0.6689 -0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5549 1.2572 1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3164 0.8168 1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9813 2.7909 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0637 1.8438 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7873 0.9930 -3.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9081 1.9957 -2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9316 2.9829 -1.1096 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