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
-4.6415 0.7027 2.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2762 0.4282 1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3390 0.4296 0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9923 0.1849 -0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4665 -1.1356 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -1.4694 -0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 -0.4621 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2323 -0.9005 -1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2614 0.0134 -0.6962 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5595 -0.1184 -1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8094 -1.1114 -1.8777 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5903 0.8414 -0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3331 1.8725 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8248 0.0520 3.0207 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4586 0.5414 1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6454 1.7556 2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9740 -0.5739 1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5354 1.1594 1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7606 1.4102 -0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0265 -0.3886 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3355 1.0387 -0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1218 0.2806 -1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1767 -1.9350 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3349 -1.1054 0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1879 -2.4528 -0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1929 -1.5932 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6564 0.5687 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1189 -0.4744 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0578 -0.9138 -2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4471 -1.9239 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5824 0.6914 -1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1071 2.5685 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3373 2.0191 0.3455 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