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
-4.8981 -0.4243 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6045 0.1319 -0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4774 -0.3423 0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2333 0.1691 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9865 -0.2957 0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1842 0.2669 1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4808 -0.1422 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5823 0.3394 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8228 -0.0769 -1.1844 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0515 0.3023 -0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0794 1.0883 0.2846 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3071 -0.1817 -1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4413 0.2170 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0977 -1.3870 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7365 0.2479 -0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7845 -0.6310 -2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7947 -0.3008 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5345 1.2172 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3877 -0.0228 1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5011 -1.4657 0.8081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2270 -0.2034 2.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2041 1.2679 1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9053 -1.3779 0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0382 0.1143 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0788 1.3710 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1399 -0.0658 2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6094 -1.2613 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2839 0.2564 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4624 1.4395 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7467 -0.1263 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3148 -0.8521 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4515 0.8857 0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3741 -0.1163 -1.2080 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