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
7.6618 1.6875 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8542 1.3828 1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 1.4580 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9063 0.5051 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1458 -0.9357 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4612 -1.3690 1.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9712 -1.1839 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3159 -1.9618 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8286 -1.7285 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4432 -0.2954 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0891 -0.1984 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5440 1.1954 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0158 1.3667 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7829 0.7647 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8177 -0.6597 -1.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2925 -1.6428 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7282 -1.5947 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1749 -0.3592 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6853 0.0639 1.5250 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1978 0.4420 -0.0828 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6085 1.6067 0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5836 1.5592 1.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4241 2.7361 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7311 1.6727 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4159 1.0205 -1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1689 0.4298 1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1025 2.1809 1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1625 2.4858 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8505 1.3250 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8132 0.6523 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3681 0.7260 -1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7256 -1.5495 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2228 -1.2021 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7101 -2.4654 1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9115 -0.8827 2.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6949 -0.1163 1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5663 -1.5374 2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4785 -3.0590 0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7152 -1.7061 -0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3277 -2.3198 -0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4581 -2.0603 1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7808 0.0457 -1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7802 0.3985 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4101 -0.5098 1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5002 -0.8949 -0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0299 1.9057 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1857 1.5718 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2600 2.4898 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3386 0.9260 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8567 1.1365 -1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5047 1.2877 -2.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9936 -1.0936 -2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6773 -0.7470 -2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6116 -1.5918 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0836 -2.6708 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3466 -1.8334 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9144 -2.4962 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1568 2.5744 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9327 2.4587 1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0626 0.6099 1.6740 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