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
-5.4378 0.4406 1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9021 -0.1124 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3844 0.0999 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7895 -0.4309 -1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2986 -0.2637 -1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6446 -0.9932 -0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8644 -0.9011 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2893 0.5281 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6670 0.7240 -0.3953 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5624 0.2259 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1257 -0.4867 1.4366 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0054 0.4995 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4758 1.2463 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9510 -0.0579 1.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5228 0.2771 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8932 -0.0938 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1490 1.5057 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0750 -1.2025 -0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3437 0.3801 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1177 1.1513 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0133 -0.4625 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0691 -1.5267 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3189 -0.0127 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1058 0.8285 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0034 -0.6189 -2.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9437 -2.0559 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0396 -0.5852 0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2116 -1.4467 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2191 -1.3226 -1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8913 1.0720 -1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8501 1.0376 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5327 1.4392 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8217 1.6694 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4678 -0.1909 2.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7988 0.6681 1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3182 -1.0292 1.0057 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