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
-4.9378 -0.3562 1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7271 -0.4024 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4696 -1.1752 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2471 -0.5396 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0177 0.8553 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8031 1.4772 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4060 0.6643 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6780 1.2620 0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7216 0.4233 0.0811 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0516 0.5888 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3446 1.5654 1.1353 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0071 -0.3800 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2755 -0.2427 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6072 -1.5214 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8640 0.2546 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0637 -1.3734 1.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0705 0.1485 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5887 -0.9351 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7194 0.6258 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5830 -2.1741 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3296 -1.3366 -1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3837 -1.1589 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2749 -0.6464 1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8674 1.5396 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9227 0.8400 -1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9184 1.3959 1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7023 2.5387 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6107 0.5937 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3620 -0.3634 0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8156 2.3096 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5896 1.2829 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0340 -0.9271 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6276 0.5844 0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1224 -2.3421 -0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4469 -1.9170 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7902 -1.1585 -1.5974 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