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
-6.9989 -0.6993 1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7431 0.1404 1.6589 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0077 1.4529 0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7909 2.3206 0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6374 1.6401 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9685 1.3008 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9686 0.6334 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5582 -0.7425 -1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9315 -1.0144 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7052 -0.3177 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5040 -0.4401 -0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9707 -1.8492 -1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2110 -1.9677 -1.9365 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4081 -1.2434 -1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.7241 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0828 -0.9678 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8261 0.5052 0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0909 1.1171 1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7435 1.8523 0.2775 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5964 0.9007 2.3278 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7798 1.4918 2.7397 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9841 0.9948 2.5719 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6066 -0.3718 2.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5924 -0.5022 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7850 -1.7842 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2541 0.2585 2.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0150 -0.4624 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7907 2.0118 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4726 1.2191 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0575 3.2445 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4656 2.5544 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1901 0.8810 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8526 2.4700 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9178 0.6529 -1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3283 2.2005 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0060 1.2736 -2.1447 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2848 0.6952 -3.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5268 -1.3632 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9864 -1.1269 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6443 -1.1484 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5769 -2.1410 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8931 0.7793 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3891 -0.6358 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4588 0.1176 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3336 0.0841 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1845 -2.5514 -1.4416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2509 -2.2190 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9020 -1.5862 -2.9467 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 -3.0268 -2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2484 -1.5156 -2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3309 -0.1373 -1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0656 -2.8099 -0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1018 -1.6349 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9142 -1.1805 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3751 -1.3408 1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5118 1.0125 -0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0276 0.6473 1.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6742 2.4639 3.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8615 1.5513 2.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1567 0.0372 2.0899 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