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
5.7046 -0.3976 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2190 0.1833 1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7704 -0.2344 1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9048 0.2852 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4900 -0.1549 0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5451 0.3057 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8515 -0.2013 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7823 0.2593 -1.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1196 -0.1122 -1.2319 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8522 0.2823 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2428 0.9965 0.7123 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2300 -0.0772 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8650 -0.8195 -0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9282 0.3890 1.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0791 -1.2730 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7495 -0.7452 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5933 0.3658 -1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8088 -0.1432 1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2401 1.2945 0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7199 -1.3350 1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4597 0.2076 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2859 -0.1895 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0218 1.3763 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4892 -1.2568 0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1508 0.3174 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4713 1.3973 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7741 -0.1639 -1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7588 -1.2974 -0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0549 0.1913 0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7638 1.3882 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3671 -0.0190 -2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8972 -1.1292 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3486 -1.1579 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2354 0.8219 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4533 -0.4800 1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7266 1.1253 1.0620 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