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
-6.7045 2.9485 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3836 2.6604 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5446 1.2842 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2480 0.9172 1.4511 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3943 -0.4361 2.1054 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6960 -1.5057 1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6439 -1.6743 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3384 -2.0300 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2301 -2.2232 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0039 -0.9578 -1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0951 -1.1101 -2.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4238 -1.4578 -1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9158 -0.4418 -0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2390 -0.8948 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3005 -1.0748 -1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6091 -1.5253 -0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 -0.5365 0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3962 0.8027 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2547 1.1668 -1.1918 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8566 1.7686 0.8983 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1367 3.0578 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5682 3.9379 1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0522 2.0004 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6241 3.7404 -1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4324 3.2690 0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5275 2.6687 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2496 3.3828 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3797 1.3187 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7902 0.5656 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9930 1.6866 2.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4350 0.8684 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2523 -0.3644 2.8428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4543 -0.6328 2.6837 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7574 -2.4797 1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7055 -1.3211 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5965 -0.7288 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9740 -2.4468 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4837 -3.0080 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0148 -1.3183 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4813 -3.0341 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3249 -2.5340 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9468 -0.8070 -1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9096 -0.0571 -0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1218 -0.2230 -2.7703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1852 -1.9699 -2.7914 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3767 -2.4581 -1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1450 -1.4759 -2.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0620 0.5692 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2419 -0.2804 0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6149 -0.1019 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1143 -1.8247 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3865 -0.1106 -1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0023 -1.8983 -1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3791 -2.5066 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3204 -1.7081 -1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 -0.4782 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1100 -0.9291 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0073 3.3474 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7019 3.6575 2.3882 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7953 4.9465 1.0717 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