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
-5.1235 1.2518 -0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1775 0.1131 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8905 0.2292 -1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9319 -0.8750 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6411 -0.7944 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6751 -1.8644 1.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6530 -1.7753 0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2616 -0.4522 0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5224 -0.2599 0.2462 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2159 0.9310 0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6374 1.7979 1.1658 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 1.1928 -0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1028 2.3416 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1374 0.1681 -1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9263 1.2617 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5944 0.9811 -1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5509 2.1934 -0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6795 -0.8413 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0966 0.1599 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3986 1.2085 -0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0549 0.1746 -2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9598 -0.6955 -1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3439 -1.8740 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3341 0.2195 1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5798 -1.0009 1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5081 -1.7750 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -2.8505 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5742 -2.0236 -0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3054 -2.5601 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3487 -0.3435 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6064 0.3737 0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6173 3.0748 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0721 2.6053 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1092 -0.1573 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4903 -0.6976 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4234 0.5623 -2.0194 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