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
-5.3758 1.0501 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8825 -0.1547 0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3779 -0.0229 0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7754 0.0402 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2791 0.1885 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7019 -0.9776 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8249 -0.8761 0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5101 -0.8294 -0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8920 -0.7453 -0.7969 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5482 0.2665 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8921 1.2087 0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9774 0.2271 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6621 -0.7759 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6345 1.3485 0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4657 1.1427 0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7936 1.9229 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2530 0.9770 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3245 -0.0854 1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0774 -1.1059 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0921 0.7850 1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0787 -0.9932 1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0070 -0.9148 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2166 0.8480 -1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 0.2755 -1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0154 1.1653 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0844 -0.9691 1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0271 -1.9046 -0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 0.0195 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1616 -1.8083 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3210 -1.8194 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1457 -0.0270 -1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1300 -1.5562 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7351 -0.8631 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9768 1.5888 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6744 1.1417 0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5837 2.2331 0.0373 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