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
-5.1346 0.5244 1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1438 0.3135 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7402 -0.1724 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7799 0.8948 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3547 0.5090 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9910 -0.7525 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4135 -1.1775 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.1234 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7382 -0.5324 -0.0157 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8155 0.2596 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6443 1.3762 0.7958 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1826 -0.2004 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4000 -1.3693 -0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3392 0.6845 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4912 -0.2572 1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6994 1.4998 1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1698 0.4998 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8282 -0.5275 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4003 1.2577 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6644 -0.3436 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6097 -1.1135 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0208 1.8070 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7940 1.0878 0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6899 1.3493 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2543 0.3880 -1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1193 -0.6309 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6583 -1.6037 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5309 -1.3525 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6598 -2.1091 0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3706 0.0721 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2048 0.7904 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3902 -1.6917 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5684 -2.0073 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6863 0.4563 1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1568 0.4488 -0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0569 1.7458 0.1537 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