Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
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
24 23 0 0 0 0 0 0 0 0999 V2000
-3.2718 0.9943 -0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6482 -0.1217 0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1632 -0.0188 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3884 0.0198 -0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0829 0.1280 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6514 -0.9973 0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1036 -0.8193 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7544 0.2350 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2706 0.8580 -1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8870 2.0020 -0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3636 1.0205 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1460 -0.2080 1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8731 -1.0724 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9337 0.8827 1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8141 -0.8929 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6593 0.8386 -1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5655 -0.9269 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2801 1.0738 0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6619 0.2014 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1892 -1.0444 1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5083 -1.9866 -0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6997 -1.5587 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8124 0.3875 0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2405 1.0052 -0.4404 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 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers