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
-7.5127 0.9105 1.9154 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4175 1.6022 1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2345 0.7528 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1816 1.3297 -1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9999 0.5035 -2.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5815 -0.9160 -1.9909 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2686 -0.9771 -1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1861 -0.3315 -2.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8724 -0.4070 -1.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9632 0.2864 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3907 0.2038 0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7757 -1.2053 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0238 -1.4637 1.7449 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3492 -1.1275 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6799 0.2693 0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1439 0.3646 0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1121 -0.0543 1.4589 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4904 0.1098 0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5140 -0.1752 1.5517 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6791 0.5708 -0.4029 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8822 0.7560 -1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4995 1.9082 -0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0293 1.6176 2.5838 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2740 0.5208 1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0721 0.0414 2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4971 1.6671 1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7354 2.6321 0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1991 0.7533 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9479 -0.2551 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4599 2.3685 -1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2068 1.4128 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9634 0.4670 -2.8302 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2744 1.0265 -2.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5572 -1.5234 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3584 -1.3815 -1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0112 -2.0539 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4388 -0.5041 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3588 0.7167 -2.3043 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0492 -0.9246 -2.9717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0869 0.0741 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6173 -1.4882 -1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1150 1.3713 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6962 -0.1310 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0758 0.8246 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1525 0.6959 1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8447 -1.7950 0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0461 -1.7466 1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 -2.5870 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8780 -1.0012 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1061 -1.5704 1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5295 -1.7401 0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1501 0.4792 -0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4068 0.9846 1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2363 -0.3032 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3532 1.3837 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9892 0.5425 2.3735 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0420 -1.1416 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3104 -0.0594 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0662 2.7067 -0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4440 2.0377 -1.4352 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