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
5.2961 0.2101 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3225 0.5032 0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9727 0.7811 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5712 -0.4569 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2363 -0.2967 -1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1134 -0.0237 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0466 -1.1467 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2126 -0.7283 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3889 -0.5548 0.6124 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5614 -0.1759 1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5022 -0.0012 2.5017 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8088 0.0171 0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8822 0.3765 1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8309 -0.1977 -0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1064 0.8532 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1875 -0.8628 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3521 0.4328 -0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2774 -0.3861 1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6680 1.3460 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0910 1.5957 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2096 1.0971 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5227 -1.3455 -0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3094 -0.6854 -1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2849 0.4955 -2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0186 -1.2399 -2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2690 0.9046 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8239 0.0008 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2958 -2.0726 -0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8873 -1.2327 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3152 -1.4467 2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9367 0.2613 1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8775 0.5359 2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8023 0.5169 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5261 0.7611 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0638 -0.9645 -1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8212 -0.5523 -1.2813 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