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
5.7166 -1.1620 -0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3272 0.2475 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8941 0.5676 -0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9063 -0.2797 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.1499 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.6863 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8987 -0.2783 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9268 -1.1265 0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2369 -0.8071 0.3993 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8582 0.4202 0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1533 1.3324 1.0731 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2351 0.6746 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7431 1.8723 0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0708 -0.3884 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6633 -1.3696 0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0137 -1.2713 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9853 -1.9208 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5907 0.5127 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9567 0.9074 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7236 1.6261 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7124 0.5351 -1.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0321 -1.3642 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9622 -0.1493 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3780 0.0313 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3169 1.2078 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5964 -0.6509 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6344 -1.7401 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0302 -0.4361 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0653 0.8051 0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6960 -1.0442 1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7553 -2.1871 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1246 2.6422 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7631 2.1310 0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8530 0.0203 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5566 -1.0403 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4580 -1.0872 -1.0577 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