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
-5.6331 1.1894 -0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2517 1.0509 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8074 -0.4018 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4250 -0.5904 0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3929 0.2380 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0320 0.0715 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3876 -1.3624 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -1.5338 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6430 -0.6884 0.1845 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9923 -0.6168 0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4019 -1.3152 1.4554 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8841 0.2461 -0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1715 0.3214 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3572 1.0535 -1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7630 0.4237 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4158 1.0788 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7094 2.2073 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5663 1.6959 -0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3428 1.3071 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4989 -1.0665 0.3989 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7573 -0.6634 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2276 -1.6938 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4685 -0.3723 1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 1.3184 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3796 -0.0398 -1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 0.4702 1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7452 0.6641 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3337 -1.9948 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.6867 -0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0431 -2.5901 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7361 -1.2471 2.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8197 0.9607 -0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6148 -0.2496 0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5442 2.1202 -1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2766 0.9222 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 0.7735 -2.3696 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