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
-5.0718 -0.8008 3.9075 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3902 -1.6426 2.8313 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3788 -2.1025 1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0627 -1.0265 1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3412 -0.0018 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4903 -0.3437 -0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3256 -1.2217 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6009 -1.3926 -1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1050 -0.0771 -2.5206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1419 0.5928 -1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0370 -0.2977 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0410 0.2824 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6047 1.5895 -0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6140 2.1581 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7888 1.2283 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5143 0.9551 -0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6807 0.0506 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7051 0.6542 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6308 1.8223 0.5515 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8452 -0.0671 0.4839 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7836 0.5272 1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7858 1.2009 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5513 -0.9116 4.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1215 -1.0747 4.0347 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9857 0.2878 3.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0310 -2.5586 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5149 -1.1464 2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9832 -2.9593 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2105 -2.5894 2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8169 -0.5264 1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7659 -1.5387 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8119 0.7501 1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1523 0.6905 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1687 -0.8463 -1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2152 0.6191 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7037 -2.2563 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5878 -0.8944 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7833 -2.1193 -1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3937 -1.8011 -2.6895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5056 -0.3077 -3.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8784 0.6578 -2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8443 1.5972 -1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6910 0.7788 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5432 -0.6004 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3228 -1.2579 -0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5852 0.3822 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8529 -0.4807 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7449 2.3204 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0236 1.4667 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1358 2.4013 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9903 3.1084 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4257 0.2479 0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4871 1.6197 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8281 1.9612 -1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8046 0.5594 -1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3371 -0.8916 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0895 -0.1561 -1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6813 0.4301 2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5186 1.6651 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8689 1.2859 -0.2727 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