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
-3.5010 1.0869 -1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5430 1.3122 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5048 0.0825 0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2798 -0.7583 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8885 -1.3209 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6520 -2.2233 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5488 -1.4861 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8791 -0.3268 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0005 0.4042 -0.2636 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2660 -0.0882 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4652 -1.2949 -0.3817 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3338 0.7942 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5558 0.3267 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0593 2.2099 0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7903 0.0748 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5503 1.4558 -1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2876 1.7441 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7046 1.9769 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4894 1.8658 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3866 -0.5984 0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7043 0.3928 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3752 -0.1770 1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4507 -1.6141 1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6236 -0.5774 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6864 -1.9503 -0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8946 -3.1280 0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4691 -2.5524 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3313 -1.1709 1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4260 -2.1798 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9234 -0.6463 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0255 0.4058 -0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3300 0.9980 0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8142 -0.7155 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9505 2.8390 0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4247 2.6002 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4476 2.2387 1.5621 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