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
5.2582 0.9353 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6607 0.9130 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1856 0.5767 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8791 -0.7560 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3916 -1.0012 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8876 -0.9635 1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5836 -1.2379 1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3225 -0.2039 0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7231 -0.4437 0.3675 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5799 0.4118 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0753 1.3647 -0.9411 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0154 0.2110 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5087 -0.8009 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8831 1.1563 -1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5398 1.0926 -2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0011 1.7805 -1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8600 0.0139 -1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7421 1.9482 0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2209 0.2638 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5487 1.3439 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9311 0.5255 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1771 -0.8439 -1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4005 -1.5608 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9452 -0.1253 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1178 -1.9455 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4850 -1.6224 1.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0045 0.0946 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8405 -2.2649 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8888 -1.1033 2.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0813 0.8002 0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0422 -0.2803 -0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8485 -1.4715 0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5682 -1.0079 0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8999 2.1137 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4425 1.2906 -2.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9329 0.7964 -1.0763 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