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
-5.2129 0.3481 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3869 -0.3821 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9619 -0.5986 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2963 0.7093 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9069 0.4831 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0861 -0.2424 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3506 -0.5007 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0348 0.7970 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3845 0.6362 -0.6938 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3432 0.0276 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0662 -0.4339 1.1773 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6988 -0.0849 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6254 -0.6715 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2950 -0.2370 -1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8615 1.3709 -0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2493 0.4046 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3968 0.1731 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8209 -1.3923 0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9829 -1.2551 -0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4647 -1.1628 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8702 1.2550 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2479 1.3379 0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0239 -0.1269 -1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4387 1.4297 -0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5733 -1.2502 0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0556 0.2339 1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3571 -1.0873 -0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8303 -1.0751 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9181 1.5402 0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 1.2666 -1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9483 0.3152 -1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6193 -0.7458 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4152 -1.0818 1.2489 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