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
-5.7582 -0.6364 -1.6843 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6600 0.2417 -0.8908 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9807 -0.1093 0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0564 -0.1711 1.5934 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9101 -1.0407 1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7307 -1.0170 0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0949 0.3699 0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8981 0.3585 -0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8427 -0.6040 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3613 -0.6467 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0549 0.6797 -0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2457 0.5097 -1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0190 1.7309 -1.8047 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6083 2.5465 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6079 2.2081 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5412 1.2588 1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3534 -0.1802 1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4163 -0.7156 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5064 -0.4734 -1.0567 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4261 -1.5578 0.6784 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4207 -2.0590 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3183 -3.2048 -0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7194 -1.6767 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1240 -0.7482 -2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7340 -0.2250 -1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6370 0.2897 -1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3160 1.3267 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6149 -1.0729 0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8223 0.6283 0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7335 0.9146 1.8702 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7280 -0.3600 2.5394 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4691 -0.8671 2.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2542 -2.1395 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7550 -1.4608 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9538 -1.6929 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8078 0.7421 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8356 1.0876 0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2613 0.0550 -1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5261 1.3969 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2839 -1.6427 0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5917 -0.4093 1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0830 -1.0515 -1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0583 -1.3961 -0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4748 0.9337 0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3661 1.4555 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8105 -0.3758 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7755 0.2290 -2.6139 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3370 2.3986 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8416 1.4816 -2.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7503 3.1703 -0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0550 3.4698 -1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5752 1.9641 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9719 3.2478 0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 1.6099 2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5556 1.3261 1.8612 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5003 -0.6818 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3786 -0.5309 0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3283 -1.4956 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0868 -3.6045 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4174 -3.7839 -0.6622 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