Monomers
Octadecyl acrylate
Identifiers
IUPAC name
octadecyl prop-2-enoate
InchI
InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
InchI Key
FSAJWMJJORKPKS-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H40O2
Heavy Atom Count
23
Molecular Weight
324.549
Exact Molecular Weight
324.3028
Valence Electrons
136
Radical Electrons
0
tPSA
26.3
MolLogP
6.9771
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
63 62 0 0 0 0 0 0 0 0999 V2000
7.2006 2.2139 1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0910 1.0682 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6629 0.6176 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1986 0.1343 -0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0450 -1.0047 0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7310 -1.6718 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 -0.9661 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9847 0.1833 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6057 -0.0964 -1.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5768 -1.1630 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2650 -0.8616 -0.9116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3176 0.4020 -1.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6116 0.6993 -0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6371 -0.3892 -0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8811 0.0968 -0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9890 -0.9386 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1752 -0.4198 0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3437 -1.3560 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4418 -0.8390 1.1523 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0971 0.3428 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6675 1.0117 -0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2219 0.8398 1.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8003 1.9677 1.3089 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8258 2.7069 0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3721 1.8048 1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7974 2.9735 1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1433 1.4376 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0945 0.2547 1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3371 -0.1860 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7001 1.4660 -1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6505 1.0200 -0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9067 -0.0604 -1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7902 -1.8144 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3456 -0.7072 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5358 -2.1830 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9321 -2.5844 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7961 -0.5726 1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7529 -1.7359 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5407 1.1059 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0073 0.4375 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5003 -0.4036 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 0.8411 -1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9097 -2.1488 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3527 -1.2734 -2.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3738 -0.7253 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3919 -1.7199 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5188 0.2601 -2.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3537 1.2724 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0794 1.6348 -1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4686 0.8252 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8575 -0.4784 -2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3245 -1.3785 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6476 0.3041 0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1686 1.0449 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6276 -1.9075 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2896 -1.0215 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3981 0.6065 0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8499 -0.3474 1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0362 -2.3311 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6082 -1.5021 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5786 0.2775 2.4681 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6498 2.3479 1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4938 2.5888 0.4771 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 1 0
19 20 1 0
20 21 2 0
20 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
18 59 1 0
18 60 1 0
22 61 1 0
23 62 1 0
23 63 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers