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
-4.3206 0.3919 0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8657 -0.0555 -0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5919 0.6051 -1.3612 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4432 0.3113 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1548 -1.1357 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1519 -1.6126 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2486 -1.1433 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5264 0.2609 0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9101 0.5923 0.9361 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6971 0.5288 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1855 0.1501 -1.2618 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1097 0.8991 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6312 1.2944 1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5740 0.1910 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2867 -0.0523 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4816 1.4961 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6955 0.2578 -1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7666 -1.1479 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2521 0.1956 -2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7351 1.6853 -1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 0.7976 -0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6209 0.8583 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1494 -1.6375 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9863 -1.5802 -1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1920 -2.7530 0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5688 -1.3562 1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8401 -1.8668 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6311 -1.3193 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8987 1.0289 0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3161 0.3402 2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7188 0.8454 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6590 1.5726 1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0320 1.3576 1.9674 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