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
-4.5106 3.8276 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7633 4.1191 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4126 3.1517 0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8995 1.8599 0.8352 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6275 0.6712 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6298 0.7410 -1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3218 -0.5898 -1.6506 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8344 -1.6969 -0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5562 -1.5598 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5299 -0.5332 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1864 -0.4769 1.6633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9652 -0.1743 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2074 -0.1569 1.6321 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 0.1240 0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7249 -0.8963 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8568 -2.2847 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9368 -2.5453 1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3044 -2.2994 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2969 -2.5271 1.5472 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5529 -1.8252 -0.4855 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8539 -1.6156 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0875 -1.1657 -2.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5222 3.4231 -2.1133 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5831 4.7870 -2.4822 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3592 3.2294 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3669 5.1071 -0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7901 4.4864 0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5634 3.7339 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5233 3.0216 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6168 1.5037 1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9266 2.1349 1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4185 -0.2423 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6381 0.3084 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2612 1.2117 -1.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8230 1.4565 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2156 -0.9389 -2.2775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5781 -0.3362 -2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6094 -1.9563 -0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8697 -2.6628 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3333 -2.5558 0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7262 -1.4113 -0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8498 0.4736 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2519 -0.8685 1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2749 0.3629 2.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0086 -1.3778 2.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0615 -0.8703 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8285 0.8748 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2385 -1.1032 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0587 0.6585 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3611 1.1108 0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3268 0.1628 1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8954 -0.9062 -0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6281 -0.6165 -0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8637 -2.7171 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0973 -2.9218 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8257 -1.9664 2.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8870 -3.6361 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6607 -1.8311 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2855 -0.9468 -2.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0980 -1.0032 -2.4401 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