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
-2.1551 1.6454 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4646 0.1924 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2416 -0.6501 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2394 -0.5270 -0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9767 -1.3621 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7692 -1.0323 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4140 0.2616 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5436 1.1305 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5298 1.8820 -1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 2.1821 -0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7125 2.0157 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0064 -0.2142 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1278 0.0730 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7952 -0.3614 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5370 -1.7159 0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0059 0.5417 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7039 -0.8703 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5957 -2.4214 -0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6167 -1.4477 -1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0643 -1.1298 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5651 -1.8300 0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8440 0.5565 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 0.9896 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0510 2.0914 -0.2237 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