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
-4.5512 0.3192 0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2061 0.8959 0.9842 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1149 -0.0947 1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8749 -1.0487 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4985 -0.4828 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3341 0.3889 -1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0414 -0.0427 -1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3758 -0.3711 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7618 -0.7312 0.4437 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7064 0.2322 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3540 1.3946 -0.1520 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1400 -0.0643 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9942 0.8941 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7040 0.0065 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8440 -0.4810 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3050 1.1460 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2246 1.6065 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9422 1.5193 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1781 0.4460 1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3658 -0.6817 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8701 -1.6495 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2131 -1.8514 0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3798 -0.0273 -1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2918 -1.3980 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4935 1.3977 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2964 0.7531 -2.4539 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8066 0.6235 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 -1.0305 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7540 -1.1338 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2966 0.5953 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5277 -1.0296 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0710 0.7542 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6549 1.8814 -0.3239 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