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
4.5698 0.4191 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0773 1.2445 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5788 1.4279 1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9008 0.1014 1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3958 0.2137 1.5521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1704 0.8604 0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1686 0.0994 -0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3721 -1.2850 -0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7477 -1.3773 -0.7309 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6211 -0.8580 -1.6578 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1389 -0.2900 -2.6572 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0791 -0.9506 -1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6051 -1.5430 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9647 -0.3789 -2.5286 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8898 0.4827 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5460 0.8276 -0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7586 -0.6402 0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5394 2.2532 1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4302 0.7906 2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3472 1.9851 2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2196 1.9658 0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1694 -0.5830 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2563 -0.3877 2.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0853 -0.7781 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1322 0.7904 2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2727 0.9044 0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1657 1.8983 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2871 0.1253 -0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1808 0.6396 -1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2025 -1.8483 -0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1138 -1.7808 -1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9614 -1.9758 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6708 -1.6289 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5194 0.4830 -3.0691 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9168 -0.0229 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2151 -1.1840 -3.2517 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