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
-5.4933 0.5557 1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8793 -0.4171 0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3521 -0.3015 0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7800 -1.2941 -0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2955 -1.2632 -0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7347 0.0610 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7732 0.0599 -0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4064 -0.2678 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7999 -0.2684 0.3839 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5965 0.7853 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 1.8759 -0.2585 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0342 0.6390 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5730 -0.5144 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9005 1.7780 -0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7907 0.7422 2.4815 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7107 1.5350 1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4662 0.2003 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1946 -1.4659 0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1981 -0.1757 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0328 -0.5426 1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0664 0.7247 0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0906 -2.3169 -0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1964 -1.1044 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9074 -1.5272 0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9713 -2.0584 -1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1121 0.8551 -0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0999 0.3127 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0905 1.0471 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0518 -0.6806 -1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9707 0.3418 1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1120 -1.3346 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6404 -0.6961 0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9561 -1.3710 0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2975 2.6871 -0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6170 1.9299 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5217 1.4696 -1.2100 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