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
8.4598 -1.0550 0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6939 -0.0590 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3253 -0.7354 -1.4014 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5525 0.1859 -2.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2736 0.6549 -1.6867 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4200 -0.5598 -1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1311 -0.0338 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2117 -1.1468 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9366 -0.6438 0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2166 0.2596 -0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0541 0.8692 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2725 0.1030 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2998 -0.9235 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6818 -1.5379 1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7000 -0.5192 1.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0785 -1.1130 1.7832 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0413 -0.0280 2.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2056 1.0073 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6960 0.9796 -0.0305 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9960 2.1392 1.3767 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1515 3.1192 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1385 3.0305 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4038 -1.2841 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6224 -0.6624 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8616 -1.9933 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2930 0.8715 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7566 0.2430 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2750 -1.0133 -1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8074 -1.6696 -1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2294 1.0142 -2.5854 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3227 -0.3679 -3.2482 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7684 1.3223 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4794 1.2676 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8858 -1.2254 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2433 -1.1030 -2.3057 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6743 0.7220 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4312 0.5002 0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6559 -1.9053 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8903 -1.6194 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2732 -0.1076 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4275 -1.5381 0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9261 1.1468 -0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0835 -0.2690 -1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3512 1.6419 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8842 1.5882 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6075 -0.3949 -0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0870 0.8993 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6995 -1.8082 0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9579 -0.6257 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9734 -2.0052 0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6852 -2.3536 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7879 0.2174 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4339 -0.0479 2.5814 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3892 -1.5589 0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0952 -1.9241 2.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0321 -0.4307 2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6839 0.5419 3.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4600 3.9509 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2625 3.7742 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8260 2.2130 -0.4117 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