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
4.8352 -0.7586 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6772 0.7064 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2821 1.1653 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3097 0.3273 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8738 0.7228 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0322 -0.1494 -1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4976 0.1385 -0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8859 -0.0854 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2225 0.1422 0.8909 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2629 -0.5400 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9701 -1.4202 -0.5322 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6686 -0.2933 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6099 -0.9901 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8454 -0.9796 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6089 -1.3508 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0816 -0.9983 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8094 0.8487 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3879 1.3441 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1615 0.9990 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1825 2.2209 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4099 -0.7456 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4756 0.5028 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7165 1.7889 -0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6647 0.5951 0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2070 -1.2294 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1846 0.0521 -2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0350 -0.5671 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6508 1.1975 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6093 -1.1170 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3016 0.5918 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9668 0.4511 1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3494 -1.7421 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6509 -0.8275 0.2670 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