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
2.9145 1.7872 0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1016 0.9019 0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0081 -0.2427 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0366 -1.3292 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 -0.8763 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6630 -2.0436 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7471 -1.5172 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 -0.4898 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3687 -0.0589 0.8373 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9425 0.5612 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2496 0.7780 -1.2761 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3452 0.9505 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8845 1.5442 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1541 0.6876 1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 1.6683 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2491 1.6851 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2793 2.8731 0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3396 0.5265 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0332 1.4997 -0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0598 -0.6684 -0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 0.1821 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2140 -2.1194 -1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3293 -1.8604 0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3266 -0.3450 -1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4992 -0.2392 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8072 -2.8568 -0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8293 -2.4683 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4911 -2.3446 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8931 -1.0791 -1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8904 -0.9762 1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3495 0.3944 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3201 1.7474 -2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9210 1.8444 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6934 -0.1563 1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2016 0.4614 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0698 1.5784 1.6729 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