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
-4.9818 -1.2632 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9274 0.2434 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7615 0.7580 -0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5135 0.1096 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2789 0.5191 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0583 -0.1465 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1207 0.2194 0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3548 -0.4356 1.4768 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4947 0.0049 0.7395 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7646 -0.4419 1.0709 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 -1.2389 2.0326 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9618 -0.0306 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1266 -0.4949 0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9033 0.9187 -0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4570 -1.7663 0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0429 -1.6311 -0.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4477 -1.6273 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7074 0.4997 0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8679 0.6711 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9162 0.5590 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7092 1.8400 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4816 0.3769 0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6177 -0.9919 -0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0915 1.6121 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3573 0.2264 -2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8545 0.1115 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2016 -1.2527 -0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1668 1.2936 1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7398 -0.2397 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3976 -0.1166 2.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2600 -1.5366 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1928 -1.1773 1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0143 -0.1935 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9227 1.9676 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9782 0.7172 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7755 0.7174 -1.4500 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