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
5.4902 -0.6227 -2.5863 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3242 0.4887 -2.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8912 1.0451 -0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4932 1.6192 -0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0933 2.2360 0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0512 1.6338 1.8502 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1944 0.5397 2.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2680 -0.8260 1.7524 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0796 -1.2263 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7463 -0.8184 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6155 -1.4470 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7049 -1.0324 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7986 -1.6737 0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1325 -1.2476 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2762 -1.8607 0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5936 -1.4581 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7259 0.0421 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0562 0.4218 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8240 -0.4668 -0.7345 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4619 1.7237 -0.3914 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6209 2.2242 -0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6277 1.5741 -1.4383 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4160 -0.3484 -2.6048 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5734 -1.5528 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7743 -0.7827 -3.6469 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3562 0.0484 -1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3909 1.2914 -2.8126 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5646 1.8855 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9792 0.3005 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5330 2.5328 -1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7787 0.9811 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0534 2.7300 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6813 3.2351 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1246 1.3124 2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8624 2.4650 2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2097 0.4533 3.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1057 0.9457 2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2908 -1.2887 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5900 -1.5218 2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8802 -1.1052 -0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9822 -2.3984 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6391 0.2663 -0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7143 -1.2643 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5988 -1.1070 1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7351 -2.5595 0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7757 0.0797 0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7727 -1.2793 -1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7318 -2.7803 0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7142 -1.3401 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0940 -1.5944 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1426 -0.1567 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1600 -2.9406 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2505 -1.3850 1.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3868 -1.9166 0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7065 -1.8239 -0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9819 0.5493 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6285 0.4429 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7137 3.3248 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6974 0.5134 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5024 2.1372 -1.8114 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