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
5.0684 0.2748 1.8843 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0711 0.1972 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6804 0.6050 1.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7050 0.5065 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3441 0.9178 0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 0.8691 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8230 -0.5175 -1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8844 -0.5733 -2.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1024 -0.1684 -1.6244 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7368 -0.8423 -0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1583 -1.8898 -0.1662 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0024 -0.3963 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5767 0.6802 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5852 0.6318 2.8181 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5004 -0.7387 2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9005 0.9703 1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3939 0.9292 -0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0227 -0.7910 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6592 1.6510 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3589 -0.0597 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6862 -0.5577 -0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0241 1.1258 -0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3750 1.9336 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0498 0.2426 1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6456 1.2717 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3654 1.5225 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1669 -0.8470 -1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9959 -1.2193 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9627 -1.6094 -2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5659 0.0773 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4374 -0.9643 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5254 0.9932 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1203 1.2506 -1.2994 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