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
7.5702 1.8974 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2990 1.1025 -1.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7178 -0.3028 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6830 -1.2628 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9035 -1.1708 0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0200 -0.0006 0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0018 0.0947 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0867 1.2759 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3120 1.2186 1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4382 0.0065 1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5456 -0.0035 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4710 -1.2207 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4040 -1.1034 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3904 -2.2399 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2310 -2.2806 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9770 -1.0005 0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9073 -0.6779 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5882 0.6322 -0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3361 1.2560 0.7271 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5099 1.1902 -1.2073 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1434 2.4052 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2776 2.4761 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3582 2.9661 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3440 1.6004 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8196 1.5115 -2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0516 1.6492 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5109 1.2605 -1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5895 -0.2954 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1428 -0.6429 -1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9149 -1.2378 -1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0656 -2.3478 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5667 -1.3526 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2119 -2.0850 0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4482 -0.2309 1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4424 0.9675 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4137 -0.8296 -0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4775 0.1839 -1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6504 2.2330 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 1.3051 -0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9315 1.3610 2.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6133 2.1065 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1275 0.0766 2.3706 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0122 -0.9422 1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 -0.0892 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2033 0.8787 0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 -2.1213 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0092 -1.2173 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7710 -1.1748 -1.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8489 -0.1097 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7753 -3.1655 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0193 -2.0927 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9759 -3.0988 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6466 -2.5503 1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5598 -1.0097 1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2989 -0.1133 0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6712 -1.4298 -0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3097 -0.5576 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6310 3.2873 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7065 3.4485 -0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7505 1.5665 0.0695 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