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
-4.1885 -0.5725 -1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3227 0.5620 -0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5900 0.0158 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6934 1.0463 0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0216 0.4310 2.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2041 -0.7716 1.6847 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8506 -0.3427 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7347 -1.5009 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6793 -1.0148 -0.6429 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6292 -0.0467 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6650 0.4643 0.7473 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5717 0.3932 -1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4775 1.3106 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4952 -1.1867 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0484 -0.2001 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4901 -1.1866 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9971 1.3766 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6531 0.8728 -1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3331 -0.3529 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9545 -0.8576 -0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9553 1.4100 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2804 1.9556 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8089 0.1293 2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4073 1.1938 2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7918 -1.6354 1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3164 -1.1231 2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4049 0.4927 1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4041 0.0311 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2153 -1.9851 1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0752 -2.2219 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4911 -0.0768 -2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5819 1.7982 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1386 1.5921 -2.0440 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