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
-3.8367 -0.5966 1.1561 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3900 0.2598 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5884 1.4347 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2451 1.2093 -0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 0.5189 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0508 0.4891 -0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1711 -0.1984 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3780 -0.1776 -1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5152 -0.7928 -0.5635 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1191 -0.3555 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6099 0.6496 1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2936 -0.9963 1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8577 -2.0423 0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1220 -0.0233 1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4623 -1.5799 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6596 -0.9055 1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7043 -0.3594 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3836 0.6554 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5809 2.1389 0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1858 1.9829 -1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8017 2.1978 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3445 0.6520 -1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4621 -0.5348 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9547 1.0423 0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2260 -0.0991 -1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3076 1.5000 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3490 0.4133 0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9111 -1.2288 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6371 0.8955 -1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1227 -0.6247 -2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7002 -0.5850 2.0824 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7164 -2.5044 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4348 -2.4352 -0.2862 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