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
-4.2504 2.1017 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7149 0.6871 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7234 0.0155 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2158 -1.3984 -0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8071 -1.4952 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8889 -0.7123 -0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5497 -0.8044 -0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 -0.0329 -1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 -0.0615 -0.8806 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2692 0.4164 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4803 0.9106 1.1682 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6749 0.3550 0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1563 0.8022 1.8081 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6188 -0.2273 -0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4072 2.6886 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6586 2.5324 1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0176 2.0447 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7309 0.6768 1.3461 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4440 0.2020 1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1649 0.6586 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7807 -0.0231 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9137 -2.0075 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2314 -1.7877 -1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5168 -2.5801 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6918 -1.2050 1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1790 0.3466 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9721 -1.0892 -1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8623 -1.8665 -0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6351 -0.3981 0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4059 -0.4574 -2.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1718 1.0231 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5110 1.2303 2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2096 0.7479 2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6418 -0.3181 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2545 -1.2672 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5788 0.2925 -1.3066 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