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
-8.3944 0.5929 -1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3052 1.3588 -1.8242 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7901 2.4910 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2175 2.0173 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0654 1.0818 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9564 1.7219 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7955 0.7530 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 0.2455 0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0566 -0.7124 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0509 -0.0956 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 -1.0899 -1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7559 -1.6979 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3621 -0.6242 0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1014 -0.9872 2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3908 -1.6036 2.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9155 -2.8260 1.7113 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1634 -2.9934 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1567 -1.9671 -0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6781 -0.6516 -0.1222 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4541 0.4063 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5598 0.1386 -1.0984 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0214 1.7951 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7779 2.7794 -0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9315 -0.1502 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0374 0.0819 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0270 1.3130 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4677 0.6817 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7050 1.8311 -2.7538 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6126 3.1991 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0238 3.0345 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9968 1.4044 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9565 2.8399 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6557 0.7912 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4360 0.1488 -0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5806 2.6514 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2916 2.0029 -1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0890 1.2738 -1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2248 -0.0803 -1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9160 -0.2186 1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6935 1.1274 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4123 -1.5973 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6269 -1.0609 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 0.3880 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5175 0.7882 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7590 -1.8782 -1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9148 -0.5018 -1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3581 -2.5698 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8715 -2.1695 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4707 0.0220 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9195 0.1122 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3195 -1.5186 2.8665 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1796 0.0036 2.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5644 -1.6881 3.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2455 -0.8031 2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3924 -3.7649 2.1259 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9557 -2.9838 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7755 -3.9721 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3379 -3.0298 -0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3087 -2.1143 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1517 -2.0883 0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0761 2.0204 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7246 2.5441 -1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4412 3.7972 -0.7372 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