Monomers
Cyclohexyl methacrylate
Identifiers
IUPAC name
cyclohexyl 2-methylprop-2-enoate
InchI
InChI=1S/C10H16O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InchI Key
OIWOHHBRDFKZNC-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OC1CCCCC1
Canonical SMILES
CC(=C)C(=O)OC1CCCCC1
Isomeric SMILES
CC(=C)C(=O)OC1CCCCC1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H16O2
Heavy Atom Count
12
Molecular Weight
168.236
Exact Molecular Weight
168.115
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.4384
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
28 28 0 0 0 0 0 0 0 0999 V2000
1.5992 -1.3513 -1.4352 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8095 -0.4187 -0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1570 0.0825 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4187 1.0664 0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2666 -0.5667 -1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 0.0987 0.0383 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6185 -0.3774 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1680 -0.9605 1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5672 -0.6462 1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0740 0.6756 0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8671 0.6709 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3938 0.7172 -0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4013 1.4625 0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5816 1.4889 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2113 -1.6486 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0896 -0.3042 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2359 -0.1149 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5258 -1.2040 -0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0579 -2.0859 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 -0.6346 1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7378 -0.6648 2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2820 -1.4251 1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5521 1.5403 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1646 0.7244 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3774 -0.2003 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2987 1.6233 -0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2425 0.7313 -1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0371 1.7212 -0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 7 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
5 17 1 0
7 18 1 0
8 19 1 0
8 20 1 0
9 21 1 0
9 22 1 0
10 23 1 0
10 24 1 0
11 25 1 0
11 26 1 0
12 27 1 0
12 28 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers