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
-8.8612 0.8220 0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6102 -0.3762 1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6835 -1.3682 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3325 -0.7600 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6938 -0.2673 1.3221 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3287 0.3590 1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4372 -0.6591 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0360 -0.1277 0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3676 0.3295 1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0259 0.8956 1.2798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1861 0.1580 0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2428 -0.3926 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5019 -1.0343 -0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7261 -0.2600 -1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3345 0.5388 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6580 1.1965 -0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6223 0.1384 -0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9267 0.7754 -1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0929 2.0192 -1.2731 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9848 -0.0177 -1.6860 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2091 0.5147 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1752 0.7174 -1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5926 0.5616 -0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2838 1.6223 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9564 1.2331 -0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6036 -0.8553 1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2478 -0.0910 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0903 -1.8187 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5214 -2.1863 1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7222 -1.6130 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3644 0.0125 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5732 -1.0893 2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3332 0.5256 1.8018 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9720 0.8371 1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5661 1.1995 0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3445 -1.5637 1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8458 -0.9730 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5949 -0.9002 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2532 0.7593 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0489 1.1520 1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4975 -0.4747 2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1674 1.2638 2.3591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0848 1.8804 0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1237 0.6377 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1775 -0.7825 1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4951 -1.2730 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9316 0.3450 -1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2307 -1.5057 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7055 -1.9871 -0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5101 -0.9989 -1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5809 0.4210 -2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5519 0.0273 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7042 1.4697 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0713 1.7489 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4451 1.9343 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7395 -0.5973 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2765 -0.3356 -1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4041 0.7754 -3.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1279 1.1231 -1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9700 0.4499 -0.1338 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