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
-3.8216 2.2687 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7349 1.2699 -0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3189 0.0010 -0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2429 -0.9557 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3859 -1.2804 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2880 -2.2610 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4944 -2.5372 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1325 -1.3235 1.4961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0210 -0.7435 0.5470 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7475 0.4078 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5613 0.8830 2.0030 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6585 1.0109 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8153 0.4708 -1.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4111 2.2324 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3730 3.2768 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0633 2.1729 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7139 2.1380 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1087 1.7286 -1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1366 1.1392 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0448 -0.4406 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9233 0.2638 -1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6279 -1.8696 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6146 -0.4401 -1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0039 -1.6895 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8635 -0.3470 0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6833 -3.1942 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4456 -1.7992 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2555 -2.9840 1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2373 -3.3360 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7275 -1.6458 2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4029 -0.5655 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2610 -0.4286 -1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4670 0.8594 -2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8746 2.8452 1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4258 1.9836 0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5210 2.8896 -0.6499 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