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
-4.3442 1.7712 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9023 1.0041 -1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4982 1.3383 -2.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4971 1.0197 -1.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5772 -0.4631 -0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6029 -0.8459 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8336 -0.5484 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6724 -0.9968 1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0488 -0.7576 0.8308 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0075 -1.0769 1.7639 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6602 -1.5858 2.8482 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3993 -0.8279 1.4961 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3028 -1.1357 2.3914 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0730 1.1452 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4450 1.8795 -0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8922 2.7582 -0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0364 -0.0704 -1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5614 1.3511 -2.6808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2559 0.7351 -3.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4087 2.4164 -2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7170 1.6122 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4721 1.2307 -1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.0740 -1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5976 -0.7316 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8546 -0.2559 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6921 -1.9171 0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 0.5585 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1361 -1.1236 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2927 -0.4349 1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4797 -2.0746 1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6717 -0.3785 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3377 -0.9499 2.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0127 -1.5716 3.3215 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