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
-4.8782 -0.3082 -0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2177 0.9532 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7269 0.8296 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3484 -0.1862 0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8489 -0.3098 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1440 -0.7241 -0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3322 -0.8327 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9491 0.4472 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3215 0.3494 0.7079 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2896 -0.0008 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8965 -0.2493 -1.3866 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6696 -0.0605 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0115 0.2115 1.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3782 -0.8578 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0453 -0.9747 0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9062 -0.0514 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4048 1.8029 -1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6355 1.2600 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3162 1.8122 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2773 0.6010 -1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8297 0.0975 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7371 -1.1748 0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5174 0.7142 1.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6440 -1.0316 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3532 -0.0059 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5014 -1.7495 -0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4142 -1.5858 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8910 -1.3032 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6738 1.2563 -0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4873 0.7392 1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4304 -0.3297 -0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2954 0.4910 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0484 0.1710 1.7608 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