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
-5.2484 0.1346 -2.4242 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7204 1.4449 -1.8535 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5311 1.2736 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9899 0.6402 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8587 1.2275 1.2929 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5239 1.3405 0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8700 0.0271 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6896 -0.8637 1.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0699 -2.1823 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6833 -1.9593 0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1595 -1.2534 1.5925 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5889 -1.0839 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6168 -0.2582 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8907 -0.1145 -0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0644 0.4720 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7208 -0.2263 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9851 0.5192 1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9515 0.5337 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9979 1.2732 0.2272 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8076 -0.1805 -1.0236 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6462 -0.2076 -2.0921 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7771 0.3849 -2.3097 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5167 -0.7423 -1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6448 -0.0568 -3.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1435 0.2279 -2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9309 2.1872 -1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4363 1.8762 -2.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4480 0.6584 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9857 2.2934 -0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8575 0.5984 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8446 -0.4600 0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7426 0.7957 2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1699 2.3032 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3697 2.0783 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8435 1.7168 1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8557 0.3077 -0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3662 -0.5504 -0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7221 -1.0989 1.9216 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1702 -0.3582 2.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6597 -2.7644 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9383 -2.8367 2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2740 -2.9640 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8255 -1.3657 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3042 -1.8304 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2342 -0.2535 1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1457 -0.6016 1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9358 -2.1072 0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2423 0.7979 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8224 -0.6557 -0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6482 0.4019 -1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1798 -1.1856 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8121 1.5210 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7914 0.7610 -1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0309 -1.2800 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1222 -0.3028 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3894 0.0036 2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6924 1.5395 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2920 -0.8602 -2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2488 1.0360 -1.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3008 0.2279 -3.2518 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