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
-4.6386 0.3556 1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5659 0.2264 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0743 -1.1858 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0656 -1.5325 -0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7130 -0.9817 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4632 0.4616 -1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0465 0.7641 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7958 0.2845 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1835 0.5918 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0597 0.2338 0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6533 -0.3668 1.9875 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4962 0.5527 0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9429 1.1854 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6682 1.3982 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6120 0.0021 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2706 -0.3447 2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1488 0.4903 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8539 1.0161 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0159 -1.8022 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8057 -1.5596 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 -2.6782 -0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5198 -1.4191 -1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1442 -1.3490 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1349 -1.4921 -1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9879 1.0197 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7043 0.9409 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4533 0.3593 -2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1488 1.8796 -1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7524 -0.8443 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3654 0.6381 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1743 0.2702 1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9865 1.4236 -0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2604 1.4620 -0.9862 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