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
-6.2593 2.9709 -0.8739 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2463 2.0708 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6229 0.6349 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5809 -0.2688 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4993 0.0327 1.8002 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6903 -0.7551 2.7286 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2365 -0.9447 2.5749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8562 -1.7586 1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3182 -1.8884 1.3469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0344 -2.7290 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4197 -2.1164 -1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0418 -0.7752 -1.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3832 -0.4667 -1.7262 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2959 -0.5326 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7108 -0.1694 -1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8239 1.1990 -1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2977 1.4379 -1.9518 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1077 1.3127 -0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0353 2.2164 0.1378 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9308 0.2327 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7240 0.0679 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9524 0.5413 0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8617 4.0059 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5194 2.6274 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1944 3.0127 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2438 2.2308 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2352 2.4428 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6638 0.3943 -1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5965 0.4312 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7776 -1.2950 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5989 0.0421 -0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1998 1.1339 1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5787 -0.0348 2.1925 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8186 -0.3309 3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2190 -1.7851 2.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7303 0.0704 2.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7713 -1.4049 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 -2.8430 1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2342 -1.4450 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0077 -2.4048 2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1429 -0.8966 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0442 -3.1159 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6517 -3.6808 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5495 -2.2094 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0474 -2.8506 -1.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6547 -0.4984 -2.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4835 -0.0589 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4941 0.5963 -2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8094 -1.1133 -2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3985 -1.4727 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9998 0.2331 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1093 -0.9023 -1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3457 -0.2115 -0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4320 1.9988 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2946 1.2614 -2.5683 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5739 0.6813 -2.7142 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4439 2.4503 -2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3160 -0.4554 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5260 0.3926 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3678 1.0661 -0.1997 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