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
-4.7270 1.1556 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0296 0.1166 1.6156 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5892 -0.0998 1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4963 -0.5460 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0804 -0.7596 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2283 0.4673 -0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1935 0.2273 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 -0.8120 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1683 -1.1125 -0.4473 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1430 -0.1400 -0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 1.0093 0.0064 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5348 -0.4227 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4267 0.5446 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3907 1.7622 1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4004 0.6772 0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0406 1.8423 0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0390 0.4160 2.6836 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5860 -0.8343 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9849 0.7969 1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1927 -0.9084 1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0209 -1.5305 -0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0361 0.1685 -0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7028 -1.6195 -0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9889 -1.1109 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6746 1.2117 -1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2378 0.9648 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1639 -0.0809 -2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7094 1.1966 -0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2813 -1.7871 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7081 -0.5240 0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8703 -1.3970 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1317 1.5506 -0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4731 0.4166 -0.7923 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