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
5.0856 -0.3747 1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8651 0.5827 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4196 1.0224 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4693 -0.1562 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0700 0.3935 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0103 -0.6711 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3313 0.0155 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4859 -0.9523 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6731 -0.1850 -0.0755 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9110 -0.8074 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9046 -2.0559 -0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1669 -0.0314 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1671 1.2663 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0702 -1.4071 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0087 -0.1433 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2535 -0.3101 1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1310 0.1331 -1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4808 1.4939 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 1.8143 -0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2779 1.4731 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6954 -0.8980 0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6725 -0.6177 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9432 1.0853 -0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9449 0.8791 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0863 -1.4576 0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1018 -1.1279 -1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4276 0.7779 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3888 0.4624 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4496 -1.7268 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4182 -1.4772 -1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0754 -0.6146 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2565 1.8297 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1058 1.7852 0.1640 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