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
6.7821 2.6791 2.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7553 1.6591 1.8671 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4993 0.3481 1.7359 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6123 -0.7749 1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0179 -0.4964 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1396 -1.5891 -0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9540 -1.8703 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0754 -0.6748 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 -0.1346 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6051 -1.0281 -1.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6148 -1.5421 -0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5509 -0.5082 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1533 0.3814 -1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9594 -0.2678 -2.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1196 -1.0219 -1.8581 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0165 -0.0701 -1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2014 -0.8395 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0541 0.1477 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0770 -0.3037 0.7757 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7141 1.4465 0.2919 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3866 2.4356 0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4960 2.2812 1.5897 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4194 3.7073 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9337 2.5194 3.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7464 2.4913 1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9582 1.6085 2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3353 2.0158 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4207 0.4394 1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8047 0.0680 2.7815 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2473 -1.6727 1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8827 -0.9584 2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5109 0.4889 -0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8804 -0.4262 -0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7840 -2.5161 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -1.4300 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3948 -2.1075 1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 -2.7867 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2504 -0.8702 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6922 0.1035 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9433 0.8210 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3333 0.1595 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1540 -1.8355 -2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1824 -0.4113 -2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2275 -2.1202 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1804 -2.2815 -1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1214 0.1597 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3898 -1.0325 0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3367 0.9604 -1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7511 1.1967 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3845 -0.8505 -3.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4201 0.5698 -3.0462 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6891 -1.5537 -2.6558 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7965 -1.7904 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3735 0.7591 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4622 0.4085 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8221 -1.6126 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7599 -1.3020 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9540 3.4606 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9351 3.1831 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0392 1.3948 1.7416 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