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
-5.3049 1.8187 1.6749 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9242 0.9611 0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4462 0.5897 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0082 -0.2567 -0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5738 -0.6589 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7024 0.5610 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7393 0.0840 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6664 1.2722 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9785 0.8027 0.1286 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6844 0.0215 -0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1046 -0.3285 -1.8147 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0518 -0.4281 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7181 -0.1143 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7045 -1.2722 -1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4118 2.4186 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6925 1.2264 2.5068 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0795 2.5661 1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5123 0.0265 0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9613 1.5224 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3746 0.1005 1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8853 1.5402 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0373 0.3942 -1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6275 -1.1667 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2395 -1.3956 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4955 -1.1418 0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9471 1.1831 0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7532 1.1254 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0359 -0.5527 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8419 -0.5608 0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5155 1.8168 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3752 1.9346 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2484 0.4983 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7192 -0.4511 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9454 -0.6412 -2.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0056 -2.0996 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6423 -1.7430 -1.1076 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