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
8.1873 1.1145 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6573 0.6300 0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0628 -0.7478 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9486 -0.6921 -0.2755 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8243 0.2217 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1873 -0.2148 1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0518 0.6831 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9609 0.7022 0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3703 -0.6397 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2728 -0.6313 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8632 0.2523 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9351 0.2878 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5251 -1.0648 -1.4414 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0941 -1.6890 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1290 -1.0302 0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4515 -0.6879 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5272 0.2920 -1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9927 0.5069 -1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3901 0.6349 -2.6314 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9085 0.5599 -0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2495 0.7522 -0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1064 0.8024 0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4897 1.9006 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2088 1.5034 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2213 0.3028 -1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4474 0.5583 1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8676 1.2866 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8827 -1.3994 0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7299 -1.1019 1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3106 -0.4012 -1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4874 -1.7148 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0716 0.1963 -0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1955 1.2499 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8325 -1.2601 1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9765 -0.2371 2.2297 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3824 1.7412 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6797 0.3534 2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1869 1.4135 1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3471 1.1222 -0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1399 -1.3986 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8644 -1.0209 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6514 -0.2793 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0442 -1.7069 -0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5048 1.2999 0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2634 -0.0886 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7331 0.9883 -0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4981 0.6347 -2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6079 -1.6982 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1314 -1.0842 -2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2207 -1.8956 0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4539 -2.7334 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7076 -0.0983 1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2946 -1.7052 1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0810 -1.6046 -0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0532 -0.2315 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2160 1.3146 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9854 0.0003 -1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5966 0.8607 -1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7862 0.6986 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1463 0.9501 0.0585 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