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
-6.7471 0.0941 -2.2458 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3898 -0.4491 -2.6158 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8676 -1.5174 -1.7512 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6950 -1.3660 -0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7856 -0.3367 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1784 1.0464 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3462 2.1677 0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0109 2.4154 1.8732 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1560 1.4091 2.5393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8251 1.2995 1.7799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0096 0.2775 2.4964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3231 0.0912 1.8491 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1705 -0.3637 0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4958 -0.5754 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3456 -1.6226 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6626 -1.8221 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4861 -0.5736 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7491 -0.8908 -1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0135 -2.0383 -1.5151 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7047 0.0899 -1.2613 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9031 -0.1247 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7430 0.8680 -2.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7080 0.8721 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1589 0.5907 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4556 -0.6992 -1.9663 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6459 -1.0159 -3.6237 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7403 0.3260 -2.9839 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3937 -2.5191 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8191 -1.7579 -2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2758 -2.3677 0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6764 -1.2927 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7173 -0.5309 -0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8694 -0.5137 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2530 1.1467 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3610 1.2089 -1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8329 3.1150 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3911 2.1293 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9372 2.6472 2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4914 3.4424 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5272 0.4246 2.7129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8874 1.7927 3.6038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0435 0.9587 0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3758 2.3106 1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1552 0.6250 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5460 -0.6916 2.4748 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8943 1.0481 1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8949 -0.6160 2.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6875 0.4866 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5296 -1.2498 0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9951 0.3958 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2594 -0.9106 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4903 -1.3849 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7894 -2.5815 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2364 -2.5634 0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5050 -2.2969 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9958 0.2522 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7458 -0.2974 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1689 -1.1077 -2.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4985 1.8343 -1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6749 0.7117 -2.5626 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