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
-5.1588 1.2536 -0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4669 -0.0389 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0050 0.2826 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 -0.9117 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7372 -0.4163 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1881 -1.5057 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6145 -1.0546 0.9011 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1288 -0.5236 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4725 -0.0926 -0.3407 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9351 0.9054 0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1011 1.4529 1.2325 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3314 1.3398 0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2565 0.8007 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5345 1.8398 -1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2600 1.8825 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1446 1.0669 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5884 -0.7353 -1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9342 -0.4460 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8891 1.0860 0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6079 0.6199 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2225 -1.6362 -0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5234 -1.3966 1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4392 -0.0585 -0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6600 0.4605 1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -2.3397 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1227 -1.9888 1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1886 -1.9383 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5893 -0.2564 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5013 0.3435 -0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0608 -1.3114 -1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6096 2.1344 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2646 1.1685 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0726 0.0136 -0.9471 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