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
-4.3641 -0.1306 -3.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5190 0.1151 -1.7202 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1627 -0.0745 -1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2247 0.9288 -1.6946 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8248 0.8379 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1900 -0.4857 -1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1973 -0.5223 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1765 -0.2491 0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 -0.3006 1.2790 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6252 -0.0652 2.6431 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5973 0.1763 3.3246 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9095 -0.0881 3.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9880 0.1385 4.6146 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1228 -0.3746 2.5022 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2939 -0.5988 -3.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5027 -0.8231 -3.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2288 0.8105 -3.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8825 1.1623 -1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2804 -0.5524 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2249 0.0208 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8382 -1.1177 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5993 1.9382 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2076 0.8026 -2.7742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2350 1.6294 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8426 1.0993 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2027 -0.8467 -2.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7761 -1.2666 -0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8098 0.2781 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7201 -1.4692 -0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5421 -0.9816 1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8777 0.8155 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9334 0.1201 5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0964 0.3427 5.1746 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9478 0.2533 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9265 -0.1020 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4230 -1.4206 2.5540 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