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
6.8353 1.8562 -2.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6804 0.9669 -1.7086 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2945 -0.1776 -0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2507 -1.1458 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3199 -0.4320 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2545 -1.3089 1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4132 -1.8856 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2890 -2.6737 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1170 -2.0140 1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0271 -0.9928 2.0502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3770 0.3997 1.8901 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1387 1.2292 0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5805 1.4961 0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4763 0.3358 0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9010 0.8046 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0617 1.7991 -0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5698 2.1568 -0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2749 0.8818 -1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2166 0.3823 -2.2177 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9816 0.2538 -0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6175 -0.9459 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8434 -0.9084 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3617 2.2444 -1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4005 2.7211 -2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5211 1.2599 -2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0422 1.6108 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1743 0.6211 -2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8796 0.2457 -0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9834 -0.7129 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 -1.6606 -1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7815 -1.9218 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8900 -0.0013 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7748 0.3914 -0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8625 -2.2279 1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 -0.8982 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0371 -2.4631 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0751 -1.0028 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6730 -3.4540 1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9263 -3.3280 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4992 -1.7228 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5547 -2.9051 1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6915 -1.3671 2.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9958 -1.0544 2.6522 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4430 0.6786 2.0649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0867 0.9252 2.8453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2463 0.9225 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3476 2.2579 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9207 2.0817 1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7170 2.1988 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2574 -0.1134 -0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4360 -0.4991 1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2014 1.3235 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5701 -0.0700 0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5075 2.7472 -0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7773 1.3352 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7247 2.9099 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8417 2.5673 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0695 -1.8620 -0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3276 -1.8597 -1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3831 0.0046 -0.9601 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