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
-6.4914 -1.5826 -3.7238 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9006 -1.9325 -2.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3914 -0.9395 -1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8926 -1.1618 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3601 -1.0642 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0506 -1.3277 1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6705 -1.4029 2.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7691 -0.2424 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3427 0.0401 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4934 1.3059 0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7218 1.1675 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5069 2.4876 1.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7324 2.4673 2.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6969 1.4120 1.7642 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3842 1.3148 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6484 1.0666 -0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7081 0.9719 -1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6756 -0.1036 -1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3558 -1.3177 -1.4655 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0320 0.1907 -1.6507 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0457 -0.7058 -1.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6259 -1.3187 -2.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8002 -1.8675 -4.5363 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7057 -0.4977 -3.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4716 -2.1187 -3.8924 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8262 -2.0273 -2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3044 -2.9604 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5063 -1.0284 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1956 0.0918 -1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2902 -0.3414 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2294 -2.1171 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1296 0.0465 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8109 -1.6268 -0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5789 -2.3019 1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6234 -0.5808 2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1460 -2.3488 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6752 -1.5986 3.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3203 0.6549 2.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8446 -0.3741 2.5339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0665 0.0097 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5777 -0.7745 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1426 1.4726 -0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0948 2.1906 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3319 0.3115 0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4984 1.0427 2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6207 2.7641 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8303 3.2803 1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4537 2.4767 3.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2662 3.4695 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4681 1.4760 2.6222 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1709 0.4098 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0965 2.2155 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1823 0.4865 0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0954 1.9852 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9719 0.2231 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2319 1.9416 -1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1873 0.8186 -2.8588 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3564 -0.8974 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4436 -2.0444 -2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3635 -1.1863 -3.4965 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