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
-4.0501 -2.4113 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2824 -1.1188 1.4025 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3167 -0.6945 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5737 0.5833 -0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1055 0.4819 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4265 -0.5859 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0349 -0.7665 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7690 0.4945 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1688 0.3793 -0.4113 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0339 1.4479 -0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5059 2.5062 -1.0433 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3614 -0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2004 2.4337 -0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3483 -3.2689 1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8360 -2.4627 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5466 -2.4565 2.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2520 -1.3156 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7109 -0.3346 2.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9885 -1.5252 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4068 -0.5537 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0698 1.3952 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6044 0.8749 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6569 1.4830 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0751 0.2485 1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5606 -0.3105 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9640 -1.5515 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4867 -1.5761 -1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1041 -1.0805 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6751 0.7299 -1.7532 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3250 1.3155 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9404 0.4790 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2804 2.4349 -0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7859 3.3636 -0.9482 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