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
-5.4181 -0.5115 0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6504 0.6923 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1400 0.5328 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6912 -0.6861 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3349 -1.2024 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1347 -0.4525 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1460 0.7764 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4419 1.4480 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5385 0.5428 -0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8289 0.8871 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9942 2.0408 -0.8378 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9705 0.0101 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1570 0.4259 -0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7986 -1.3491 0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4703 -0.1526 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0338 -0.8803 1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4263 -1.3310 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0419 1.6070 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7416 0.7224 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0224 0.5540 1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7330 1.4758 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9062 -0.5452 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4002 -1.5235 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2327 -1.6012 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3246 -2.1989 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1163 -0.2379 -1.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -1.1263 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 0.4953 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6067 1.5642 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3222 1.7067 -1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5518 2.3551 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3495 1.4077 -0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0017 -0.2316 -0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9181 -1.4321 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7318 -1.7004 0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6276 -2.0818 -0.4954 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