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
-7.0710 0.9162 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9124 0.1366 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2409 -0.6925 -1.6593 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3746 -1.7814 -1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1641 -1.3860 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1965 -0.5532 -1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0357 -0.2225 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9850 0.5961 -1.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8795 0.8783 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2197 -0.3530 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8550 0.0979 1.4591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6031 -1.0413 2.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2977 -1.9010 1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2921 -1.1107 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3784 -0.4971 1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3598 0.2861 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4484 0.9041 1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4092 1.6668 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3739 2.2608 0.7939 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2345 1.7224 -1.1019 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1556 2.4519 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2198 1.8458 -2.3281 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6475 1.8844 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9891 0.4334 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0845 1.2280 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5870 0.8563 -1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6663 -0.4727 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9897 -1.1478 -2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6309 -0.0020 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9957 -2.4060 -0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0855 -2.4559 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5430 -2.3299 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2854 -0.9059 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8557 -1.1743 -2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6386 0.3841 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5619 -1.2097 -0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4282 0.3000 0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5935 0.1043 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4595 1.5568 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2554 1.5033 0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1371 1.5443 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9567 -0.9174 1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1431 -1.0338 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5158 0.8106 0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3315 0.6350 2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3723 -0.6364 2.7721 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9244 -1.6597 2.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7830 -2.7834 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5644 -2.3432 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7478 -1.7607 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7234 -0.2824 -0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9384 -1.3415 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9778 0.1944 1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8092 1.1149 -0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7884 -0.3591 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9558 0.1229 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9518 1.6158 1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9899 3.5112 -2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3947 0.8063 -2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9314 2.3916 -2.9138 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