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
-3.6814 -0.4067 1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3276 -0.4657 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7326 0.4997 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3188 0.2852 -1.4576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2800 0.3363 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0956 0.1208 -1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1873 0.1676 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4963 -0.0433 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6076 -0.0221 0.1129 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9571 1.0365 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2739 2.0865 0.8711 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1128 0.9820 1.7698 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8675 -0.0951 1.8374 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1266 0.5368 1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5358 -0.4188 1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1244 -1.3287 1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2557 -1.5117 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4464 -0.3277 -0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9551 1.5664 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3223 0.4007 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2453 -0.7635 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0088 0.9531 -2.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 1.2954 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3037 -0.4858 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0707 -0.8506 -1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2079 0.9112 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9845 -0.6689 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1813 1.1321 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6482 0.7753 -1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4825 -0.9842 -1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3849 1.8224 2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7268 -0.1659 2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6005 -0.9376 1.2227 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