Monomers
Octyl methacrylate
Identifiers
IUPAC name
octyl 2-methylprop-2-enoate
InchI
InChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h2,4-10H2,1,3H3
InchI Key
NZIDBRBFGPQCRY-UHFFFAOYSA-N
SMILES
CCCCCCCCOC(=O)C(=C)C
Canonical SMILES
CCCCCCCCOC(=O)C(=C)C
Isomeric SMILES
CCCCCCCCOC(=O)C(=C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H22O2
Heavy Atom Count
14
Molecular Weight
198.306
Exact Molecular Weight
198.162
Valence Electrons
82
Radical Electrons
0
tPSA
26.3
MolLogP
3.4662
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
36 35 0 0 0 0 0 0 0 0999 V2000
-5.5760 1.5390 -0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9045 0.3964 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3920 0.5801 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7258 -0.5611 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2247 -0.4172 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7043 -0.3977 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7940 -0.2639 -0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5116 -1.3804 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8941 -1.2924 -0.2656 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5963 -0.2292 0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8864 0.6696 0.8501 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0411 -0.1294 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7279 -1.0678 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7055 1.0384 0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7876 1.2777 -1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4924 1.8954 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8594 2.3984 -0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2830 0.2971 0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1495 -0.5586 -0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1037 1.5519 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1107 0.6166 -1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1294 -0.6809 1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9498 -1.4823 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9394 0.5131 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8361 -1.2523 1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1043 0.5416 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0687 -1.2409 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0441 -0.3286 -1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0660 0.7499 -0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2223 -2.3228 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1326 -1.5708 0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2075 -1.9035 -0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8069 -1.0702 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7757 1.1302 0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2023 2.0060 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7269 0.9485 1.9408 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 2 0
10 12 1 0
12 13 2 3
12 14 1 0
1 15 1 0
1 16 1 0
1 17 1 0
2 18 1 0
2 19 1 0
3 20 1 0
3 21 1 0
4 22 1 0
4 23 1 0
5 24 1 0
5 25 1 0
6 26 1 0
6 27 1 0
7 28 1 0
7 29 1 0
8 30 1 0
8 31 1 0
13 32 1 0
13 33 1 0
14 34 1 0
14 35 1 0
14 36 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers