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
-4.2683 0.6495 -1.9501 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3544 -0.7498 -1.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9931 -1.2980 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3351 -0.4381 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9860 -1.0911 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2257 -0.3273 1.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0544 1.0909 0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8672 1.2212 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1371 0.6079 -0.1616 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0935 0.9467 0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8832 1.8557 1.5858 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3638 0.2621 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2878 0.5841 1.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6416 -0.8048 -0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2229 0.9496 -2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6588 1.3865 -1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8415 0.7785 -2.8811 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7819 -1.4218 -2.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0000 -0.7648 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3071 -1.3202 -1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1326 -2.3411 -0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1931 0.5724 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9221 -0.3541 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3697 -1.0859 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1134 -2.1473 0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7748 -0.4306 2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7491 -0.8455 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4995 1.6071 1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9161 1.6005 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9569 2.3126 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3216 0.7633 -1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0765 1.3711 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2494 0.0929 1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1698 -0.5322 -1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3096 -1.8069 0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7355 -0.8930 -0.4119 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