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
-2.9588 -4.6668 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7658 -3.4373 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1100 -2.3888 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8562 -1.0944 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1947 -0.1244 0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9497 1.1674 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3043 2.1509 1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0271 1.6722 1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9825 1.4730 0.5073 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4012 2.5387 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8996 3.6774 0.0135 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3748 2.4189 -1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6939 3.4890 -2.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9112 1.0691 -1.6499 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9685 -5.1457 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2980 -4.2728 1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7135 -5.3355 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0675 -3.7534 -1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7475 -3.1082 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1800 -2.8064 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7704 -2.1191 1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2356 -1.2902 -1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8178 -0.6604 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2119 -0.5796 1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7963 0.0360 1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2825 1.0138 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9238 1.5577 -0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9635 2.2957 1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2533 3.1115 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4446 2.3966 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9055 0.7187 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4168 3.4351 -2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2848 4.4546 -1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3013 0.6649 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0418 0.4057 -1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6846 1.0360 -2.4321 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