Monomers
Octyl acrylate
Identifiers
IUPAC name
octyl prop-2-enoate
InchI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
InchI Key
ANISOHQJBAQUQP-UHFFFAOYSA-N
SMILES
CCCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
3.0761
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
33 32 0 0 0 0 0 0 0 0999 V2000
-4.3171 0.9695 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2060 -0.5515 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3824 -0.9908 -1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0296 -0.3458 -0.9498 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2847 -0.7323 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0678 -0.0308 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9062 -0.3508 1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2398 0.3361 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9816 -0.0442 0.2642 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2380 0.4953 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6689 1.3244 0.8907 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9809 0.0837 -1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1701 0.5750 -1.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3596 1.2222 -0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2366 1.2597 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4090 1.4559 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2549 -0.9314 0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7667 -0.8013 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9033 -0.7162 -1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2529 -2.1072 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1727 0.7631 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4682 -0.6297 -1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8238 -0.4456 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1042 -1.8264 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5610 -0.4128 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0990 1.0459 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3798 -0.0235 2.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0876 -1.4397 1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0631 1.4477 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8244 0.2235 2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5620 -0.6262 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5971 1.2871 -0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7420 0.2810 -2.2056 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
1 14 1 0
1 15 1 0
1 16 1 0
2 17 1 0
2 18 1 0
3 19 1 0
3 20 1 0
4 21 1 0
4 22 1 0
5 23 1 0
5 24 1 0
6 25 1 0
6 26 1 0
7 27 1 0
7 28 1 0
8 29 1 0
8 30 1 0
12 31 1 0
13 32 1 0
13 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers