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
-7.5472 2.5442 -1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1998 1.4044 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3490 0.7533 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1162 0.0388 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0554 0.8410 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8007 0.0036 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2057 -0.5767 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9491 -1.3996 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3659 -1.9761 1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1430 -2.8057 0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9045 -1.9363 0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1737 -2.7114 0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1605 -1.7463 -0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5054 -0.5750 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4653 0.3338 -0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7361 -0.3674 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6507 0.6399 -1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9214 1.7902 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1994 2.7928 -0.5154 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0906 1.7389 0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4086 2.7735 0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0005 2.7596 2.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6442 2.8930 -0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2499 2.2165 -2.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2681 3.4228 -1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0973 1.8658 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6379 0.6699 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0654 1.4860 1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9966 0.0126 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3059 -0.8479 -0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7600 -0.4671 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3851 1.1453 -1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7402 1.7515 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0640 0.6641 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0695 -0.7906 -1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8810 0.2172 0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9292 -1.2962 0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2358 -0.7062 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1811 -2.2047 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1738 -1.1616 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1758 -2.6193 1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2264 -3.2320 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4398 -3.6527 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0703 -1.0875 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5043 -1.6468 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9184 -3.4732 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6439 -3.1196 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0965 -2.3156 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7763 -1.3944 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6088 0.0749 0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0111 -0.8712 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9689 0.7748 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7304 1.1601 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2522 -0.7621 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5880 -1.2425 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5857 0.1254 -1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1803 0.9973 -2.4591 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9910 3.5941 0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4124 1.9381 2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2507 3.5625 2.8535 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