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
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
-5.2497 -0.3056 -0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1448 0.6987 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 0.1698 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2792 -0.9791 -0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8820 -0.6951 1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8747 0.4016 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4264 0.0689 0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3396 1.2383 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6028 1.1190 0.0275 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4638 0.0843 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0771 -0.7403 1.2162 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7867 -0.0441 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1749 0.8336 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6823 -1.1455 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3978 -0.9082 -1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2033 0.2612 -0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1193 -0.9295 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5063 1.5372 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9548 1.0972 0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1885 1.0266 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1283 -0.1606 -2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9921 -1.8154 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3860 -1.3051 -0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4001 -1.6320 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7244 -0.4888 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5897 0.4467 2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2146 1.3829 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8149 -0.8928 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1821 -0.0361 -0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4231 1.4977 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8697 2.1538 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5009 1.6355 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1201 0.7972 -1.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1933 -0.9534 1.0434 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4218 -1.3612 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0491 -2.0573 0.2255 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