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
3.5954 0.9577 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6055 -0.1619 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2503 0.1688 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3685 -1.0377 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0289 -0.8673 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7532 0.3041 -0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1057 0.3380 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1711 0.2144 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3868 0.8287 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1360 1.9596 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1245 0.8365 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9601 -1.0778 -0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4478 -0.4179 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7721 1.0241 -0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2839 0.3929 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8771 -1.9046 0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3711 -1.2078 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5925 -1.7818 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0156 -0.7943 1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2036 1.2671 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8641 0.1698 -1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2157 0.4641 1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1559 0.2351 -0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0728 0.0903 -1.4928 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