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
6.1831 -1.2089 -2.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4561 -1.0002 -0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1936 0.4677 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4129 0.8439 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6793 0.1721 2.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2132 0.2197 2.2064 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 -0.3693 1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8930 -0.2777 1.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4217 1.1375 1.5814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0621 1.2088 1.8597 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8867 0.6023 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 1.2858 -0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5220 0.6331 -1.6169 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0025 0.6928 -1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7159 -0.0023 -2.4473 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2093 0.0042 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6333 -0.6888 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1030 -0.6361 -0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7754 -0.0608 -1.7332 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7713 -1.2028 0.2259 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1602 -1.1221 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7698 -1.6789 1.3435 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0435 -0.8469 -2.7517 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2783 -0.6431 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0496 -2.2874 -2.3855 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7706 -1.6563 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5218 -1.2434 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0843 0.9788 -0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3202 0.8301 -0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5242 0.6679 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3494 1.9705 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1427 0.5679 3.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9991 -0.9289 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8787 1.2767 2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9199 -0.3297 3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6169 -1.4519 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5427 0.1398 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3649 -0.7606 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 -0.8070 2.3774 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9025 1.5395 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7560 1.7693 0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3956 2.2450 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2628 0.6249 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9553 0.7620 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7330 -0.4701 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3803 1.2035 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8781 2.3815 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2445 -0.4445 -1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3828 1.0708 -2.6188 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3678 1.7175 -1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2350 0.0716 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4976 0.5166 -3.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3210 -1.0568 -2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5161 1.0744 -2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6953 -0.4964 -3.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2259 -0.1906 -0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2420 -1.7273 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7152 -0.6218 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2034 -2.1783 2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8433 -1.6415 1.4410 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