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
-5.1419 0.6424 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4705 -0.1960 1.7729 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1855 -0.8132 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1741 0.2236 0.8722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8947 -0.3924 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1143 0.6322 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3904 -0.0182 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4056 1.0276 -0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6005 0.4659 -1.3670 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4437 -0.3378 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1095 -0.6067 0.5528 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6747 -0.8764 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9790 -0.5711 -2.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6097 0.5860 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1800 0.2688 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2495 1.6622 1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3382 0.3764 2.7162 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1566 -1.0379 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7468 -1.3620 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4275 -1.5329 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6074 0.8494 0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9881 0.8656 1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4178 -1.0411 1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1463 -1.0418 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3039 1.2133 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2734 1.3441 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8057 -0.7543 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1216 -0.5710 -1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5634 1.7062 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0057 1.6601 -1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3262 -1.4998 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3453 0.0622 -3.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8796 -0.9332 -2.9463 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