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
-4.1118 1.0312 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2120 -0.1508 -0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0993 -1.0650 0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5363 -0.3796 1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1640 0.1702 1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1549 -0.8936 0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1972 -0.1933 0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2286 -1.2498 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4971 -0.7020 0.1506 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8331 0.2560 -0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9067 0.6783 -1.5360 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1845 0.7826 -0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4476 1.6931 -1.8231 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0397 0.7369 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6131 1.8482 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4417 1.4238 -1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2199 0.2665 -1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6727 -0.7306 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1444 -1.3770 0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5492 -1.9859 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1887 0.4485 1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4714 -1.1407 2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8434 0.6533 2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1113 0.9470 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4198 -1.3715 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0710 -1.6940 1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4837 0.2889 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1146 0.6057 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8270 -1.7545 -0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2883 -1.9597 1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9411 0.3819 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4478 2.1183 -1.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6672 2.0521 -2.4626 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