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
-8.4516 0.0585 -1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1835 -0.6737 -0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9100 -0.3022 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8426 -0.8928 1.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4403 -0.7552 0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0666 -1.4274 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5515 -1.2521 -0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1441 0.1842 -0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6493 0.1933 -0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1127 1.5880 -1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2850 2.4617 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2388 2.1208 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6791 1.9364 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4137 0.8487 0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8638 0.8575 1.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6888 -0.2572 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7525 -0.1403 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4867 -1.1700 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8132 -1.2965 -1.1537 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4045 -1.8675 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6604 -2.4087 0.8058 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8626 -1.8652 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6065 -1.3032 -0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8146 -0.5495 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2112 1.0594 -1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1952 0.0316 -0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4104 -0.2996 -1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3180 -1.7323 -0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7621 0.8296 0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8799 -0.4051 1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0627 -1.9900 1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8967 -0.3660 2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7150 -1.0823 1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1708 0.3466 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1921 -2.5421 -0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5066 -1.0819 -1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0019 -1.7860 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3620 -1.8364 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3526 0.6969 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7220 0.7100 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 -0.3302 -1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1579 -0.3877 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8738 1.5784 -1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7831 2.0545 -1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1952 3.4676 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3855 2.7814 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 3.0075 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3721 1.2700 1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1664 2.9421 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8078 1.7588 2.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9644 -0.1194 1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4417 1.0152 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3391 1.8425 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8874 0.6542 2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7051 -0.1040 1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2872 -1.2054 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1984 0.8919 -0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7215 -0.0522 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9251 -2.1529 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3646 -0.9506 -2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2814 -2.3219 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1560 -0.8341 -1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6832 -1.2982 -0.6801 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