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
8.4300 -1.9034 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9414 -2.1303 0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1978 -1.1349 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3938 0.2866 0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6530 1.2835 1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1517 1.0394 1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5609 1.1068 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0432 0.8120 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3104 1.7771 1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1091 1.5012 1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0723 1.3471 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9695 0.1484 -0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9954 0.1595 -1.8865 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3886 0.1816 -1.3263 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3743 0.1580 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7856 0.1909 -2.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0484 -0.9997 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4629 -1.0015 -0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1922 -0.0472 -0.9888 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9621 -1.9789 0.1838 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2805 -1.9882 0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5890 -1.4061 1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8809 -1.9005 1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6859 -0.9773 -0.3505 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8924 -2.7407 -0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7667 -3.1322 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5732 -2.1626 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4759 -1.1891 2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1167 -1.3733 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1679 0.3875 -0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4777 0.5049 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9000 2.2933 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9930 1.1996 2.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8819 0.1032 1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7448 1.8752 2.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6384 2.0800 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9623 0.2626 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9432 -0.2341 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7176 0.9697 -0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4140 2.8126 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8206 1.9550 1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5587 2.3039 1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1595 0.5847 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0767 2.2665 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1398 1.3496 0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3060 -0.7351 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0020 -0.1616 -1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8830 -0.7671 -2.4817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8161 1.0548 -2.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5062 -0.7257 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5423 1.1364 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1824 -0.7899 -3.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1249 1.0367 -3.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0156 1.1025 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5097 0.1764 -2.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7769 -1.9554 -1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4297 -0.8774 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0612 -2.4775 0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5943 -1.4125 2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8248 -0.9164 2.3594 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