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
-8.4821 0.3431 1.4064 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6870 0.4361 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2975 -0.1312 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5171 -0.0335 -0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1014 -0.6332 -0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2733 -0.5676 -1.8413 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9371 -1.1249 -1.9188 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8335 -0.6796 -1.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9386 -0.9721 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1052 -0.5404 1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4342 0.8261 1.6532 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9291 1.7919 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1958 1.6195 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3797 0.4941 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7820 0.5287 -1.6283 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8519 0.4248 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2281 0.4342 -1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2442 0.3291 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4636 0.3173 -0.4594 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8661 0.2433 1.1631 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7839 0.1440 2.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1828 -1.0439 2.5921 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8097 0.3413 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1933 1.2058 1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0233 -0.6293 1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6028 1.4836 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1810 -0.2148 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8492 0.4604 1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3672 -1.1810 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0005 -0.6100 -1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4213 1.0108 -1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2864 -1.6205 -0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7820 0.0575 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2063 0.5111 -2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8991 -1.0805 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 -1.0116 -3.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9722 -2.2840 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6500 0.4086 -1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1006 -1.1591 -1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9367 -0.7340 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9390 -2.1349 0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0410 -1.1500 1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2196 -1.0570 2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3704 1.3217 2.3346 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2820 0.7692 2.4662 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1383 2.1404 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0861 2.8259 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5124 2.5736 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0018 1.4955 0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3034 -0.5199 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6483 0.5397 -1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8751 1.4529 -2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7967 -0.3263 -2.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7846 -0.4516 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8219 1.3563 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3619 1.3403 -1.8594 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2963 -0.4840 -1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1748 1.0260 2.6694 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9010 -1.1665 3.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8041 -1.9498 2.1278 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