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
-5.4507 1.0160 -0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9293 -0.1281 -1.7621 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7407 -0.7519 -1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 0.3332 -0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4475 -0.2128 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4859 0.9442 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7959 0.5680 0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4710 -0.5279 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7031 -0.9162 0.4064 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7740 -0.0898 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6948 1.1073 0.2268 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9860 -0.6008 1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0301 -1.8564 1.5925 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1505 0.3098 1.4234 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5490 0.8706 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0235 1.0013 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1942 2.0012 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7268 -0.8901 -1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5601 0.3167 -2.7091 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2852 -1.5255 -1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9860 -1.2194 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3656 0.7115 -1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0398 1.1961 -0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9652 -0.9910 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7619 -0.6083 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9725 1.8293 0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2135 1.1871 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5080 0.2380 1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4395 1.4668 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6304 -0.2725 -1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8254 -1.4401 -0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9149 -2.2447 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1886 -2.4939 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1171 -0.2087 1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0811 0.7728 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0772 1.1083 0.6628 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