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
-5.5248 3.2505 0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0828 2.9766 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7840 1.6559 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8681 0.4917 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6887 0.4502 -1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8494 -0.7645 -0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6448 -0.9172 -1.6743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8622 -2.1261 -1.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3958 -2.0125 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6061 -3.2318 0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6097 -3.4310 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5803 -2.2705 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0730 -2.0279 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0406 -0.8653 1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2214 -1.1624 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2841 -0.0959 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6909 1.1960 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7103 2.2875 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3979 3.4272 -0.4854 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9897 2.0009 0.3038 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9335 3.0083 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1673 3.8115 1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1204 2.8074 1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4552 2.9231 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5079 4.3484 1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2313 3.0342 -1.1927 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7603 3.8068 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2353 1.5819 -1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6035 1.6273 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4728 0.5328 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3877 -0.4818 -0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9750 0.3206 -2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0257 1.3263 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5269 -0.5281 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4700 -1.6693 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9348 -1.0464 -2.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0420 0.0155 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0366 -2.3636 -1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6006 -2.9820 -1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7204 -1.1380 0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2645 -1.9620 0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2253 -4.1634 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3078 -3.1030 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1389 -4.3375 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3485 -3.7024 -1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4654 -2.6205 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1409 -1.3903 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2941 -1.9040 1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6768 -2.9359 1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3358 -0.6864 2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4984 0.0628 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8801 -1.2144 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6962 -2.1328 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0831 -0.4662 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7519 0.0119 1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8517 1.4620 0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3505 1.0469 -1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4989 3.1268 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9128 4.5860 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5878 3.6817 2.2017 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