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
-5.1518 -0.5364 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4767 0.3926 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0314 0.6628 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2286 -0.6188 -0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7849 -0.3396 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1296 0.5938 -0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2977 0.8436 -0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1532 -0.4083 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4663 0.0373 -0.0831 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5208 -0.8588 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2443 -2.0686 -0.1957 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8595 -0.4406 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1553 0.8159 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0294 -0.0273 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5697 -1.4481 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5180 -0.8609 1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5765 -0.0601 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0186 1.3580 -0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9882 1.0875 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6668 1.4176 -0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3163 -1.1361 -1.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6298 -1.2597 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6963 -0.0214 1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2539 -1.3325 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1286 0.1524 -1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6345 1.5642 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3943 1.3855 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6975 1.5826 -1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 -1.0692 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1538 -0.9419 -1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6394 -1.1747 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1297 1.1361 0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3844 1.5729 0.5862 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