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
3.4458 0.1180 -0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 0.3822 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6536 -0.5962 0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2690 -0.2737 1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7022 -0.3707 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1322 -0.0707 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9995 -0.1944 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7022 0.8331 -0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6682 -0.9593 -0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6019 0.5207 -1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1302 0.6868 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3858 0.2532 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9386 1.4002 0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 -1.6264 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3980 -0.6203 1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2174 0.7967 1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0203 -0.8800 2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4807 0.4543 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6884 -1.3679 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4257 -0.8194 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2057 0.9141 1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0507 -1.1254 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3437 0.7576 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6675 1.7875 -0.4891 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