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
-5.0543 -0.7555 -0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2629 -0.2265 0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7730 -0.3288 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3928 0.4556 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9096 0.3510 -1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 0.8730 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 0.7670 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 -0.6482 -0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2345 -0.6320 -0.6798 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2224 -0.2088 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8665 0.2074 1.3177 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6437 -0.2296 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5158 0.1945 0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1415 -0.6142 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9152 -1.8581 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9098 -0.1917 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4976 -0.8785 1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5817 0.8028 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5643 -1.4071 0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2597 -0.0066 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8977 0.0121 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7174 1.5186 -0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6945 -0.7302 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6965 0.8735 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3048 1.9450 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2828 0.3487 1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9200 1.1914 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6357 1.3691 -1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5846 -1.2740 0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2943 -1.1080 -1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9965 -0.5730 -1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2117 0.5557 1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5775 0.2054 0.5028 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