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
-4.6170 0.7855 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8684 -0.5123 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5572 -0.3504 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6963 0.6116 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3620 0.8166 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4249 -0.4467 0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7492 -1.1303 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5678 -0.2950 -1.4125 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8086 0.0999 -0.8929 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8145 -0.7261 -0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6447 -1.9634 -0.5572 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0488 -0.1369 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2034 1.1646 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6173 0.5335 -0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1370 1.4708 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7463 1.3332 0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5146 -1.2274 0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6771 -0.9097 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0984 -1.3480 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6821 0.0533 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2214 1.5891 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6104 0.2853 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1908 1.6222 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5827 1.1860 1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1413 -1.1363 1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3741 -0.1931 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1521 -1.4918 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3389 -2.0398 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 -0.8558 -2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0015 0.6285 -1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8256 -0.8098 0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1212 1.5726 0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4069 1.8202 -0.2153 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