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
-8.2847 1.4873 0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7206 1.0191 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3415 -0.4241 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3017 -0.6471 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0760 0.1205 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9611 -0.0317 1.0743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7973 0.7992 0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6137 0.7243 1.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0806 -0.6502 1.7009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6019 -1.3152 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5144 -0.5833 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7362 -0.4217 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7745 0.3301 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1613 -0.3843 -1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2178 0.4025 -2.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4643 0.5946 -1.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0999 -0.7159 -0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3145 -0.4052 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0263 -1.3371 0.2687 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7063 0.8965 0.0897 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8474 1.1251 0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0361 1.2528 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8538 0.6098 0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4299 1.7611 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9297 2.3544 0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8975 1.6336 -1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5178 1.0597 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2476 -1.0429 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8802 -0.7408 -1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6657 -0.3248 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0319 -1.7280 0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2849 1.2075 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6828 -0.2040 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6949 -1.0684 1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3338 0.4016 2.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1002 1.8684 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5123 0.5252 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 1.0640 2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8505 1.4693 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8701 -1.2865 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2645 -0.5953 2.4495 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4299 -1.4262 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2338 -2.3227 0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8016 -1.2595 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2392 0.3771 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1157 -1.4232 0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5189 0.2076 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6333 0.5411 0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2798 1.3005 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4638 -1.4216 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2751 -0.3860 -2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7937 1.3816 -2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4841 -0.1834 -3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1978 1.1226 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3220 1.2063 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3095 -1.3741 -1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3788 -1.2308 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7327 1.1963 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1451 1.1807 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9051 1.4299 0.8872 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