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
-7.9152 -0.3221 2.9304 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1048 -0.2791 1.6777 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8830 -1.2059 1.7334 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1954 -1.0195 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9681 -1.8611 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3415 -1.6466 -1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9315 -0.2294 -1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3058 -0.1050 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8776 1.3005 -3.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9305 1.9610 -2.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4232 1.5000 -1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7289 0.2155 -1.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2516 0.0330 -1.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8978 1.0683 -0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3942 0.7107 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1570 1.6904 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6126 1.3410 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9141 0.0374 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0543 -0.7183 1.7635 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2293 -0.4697 1.2901 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5079 -1.7052 1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8074 -1.8722 3.1175 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2602 -0.3980 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6643 -1.1362 2.8423 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4659 0.6419 3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6666 -0.5330 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6826 0.7453 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2057 -2.2573 1.8796 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2080 -0.9323 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8793 0.0604 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9626 -1.2336 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2596 -1.5157 1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1633 -2.9345 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3997 -2.2661 -1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0333 -1.9380 -1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1805 0.1455 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8504 0.4206 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4806 -0.8055 -2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1369 -0.3777 -3.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6318 1.4193 -4.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8496 1.9053 -2.9485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4834 2.1411 -1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 3.0496 -2.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9166 2.3049 -1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0516 1.5921 -2.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3694 0.1724 -0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3943 -0.7097 -1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7272 -0.0259 -2.0983 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4028 -0.9518 -0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4930 0.9699 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7641 2.1086 -0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8182 0.7300 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4712 -0.2892 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0717 2.7373 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7872 1.7310 1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2279 2.1621 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9604 1.3036 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4671 -2.5602 1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8602 -1.0451 3.8174 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0142 -2.8547 3.5022 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