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
-7.8881 2.3337 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3810 0.8967 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6007 0.6828 -0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0434 -0.7129 -1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1072 -1.0346 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9084 -0.1501 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0862 -0.6076 1.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8721 0.2785 1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9615 0.2152 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3847 -1.1623 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5016 -1.1721 -1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6661 -0.2419 -1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5692 -0.5559 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7733 0.3494 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6370 0.2720 -1.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1590 -1.1339 -1.3089 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9961 -1.6365 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1897 -0.7914 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3058 -1.2781 -0.4144 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2552 0.4634 0.5192 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4278 1.1873 0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3933 2.4282 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5692 2.4169 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4312 2.5994 1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0550 3.0227 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7760 0.7950 1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2315 0.2015 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8480 1.4652 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3162 0.8238 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5561 -0.8058 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8803 -1.4338 -1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7215 -2.0755 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6452 -1.0822 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1494 0.9218 0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2760 -0.3103 -0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8397 -1.6768 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6789 -0.4677 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2289 1.3190 1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2452 0.0295 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1059 0.8996 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4366 0.5419 -0.6229 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0606 -1.6105 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2640 -1.8251 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1348 -0.9648 -1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9392 -2.2092 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1844 -0.3312 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3340 0.8372 -1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8468 -1.6260 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0027 -0.4219 1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4466 1.3767 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3840 0.0162 1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0888 0.5633 -2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5070 0.9377 -0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3090 -1.8072 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7325 -1.0856 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2950 -2.6971 -0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4344 -1.7037 0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3858 0.7680 0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4926 2.9513 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3056 3.0177 1.1973 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