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
-2.3279 1.6116 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6074 0.4114 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5591 -0.6658 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1771 -0.1055 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7839 -1.2204 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2067 -0.9624 0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8972 0.0302 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4617 0.5846 -1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5780 1.3137 -1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 1.9787 -0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8289 2.4208 0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6598 0.6525 1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5779 -0.0486 0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5300 -1.0846 -0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8144 -1.5016 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2592 0.2262 1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0032 0.7792 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6956 -1.5734 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4810 -2.1251 1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7382 -1.9507 0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4100 -0.7826 1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9057 0.3295 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5143 0.3617 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0862 1.3205 -1.7551 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