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
-3.3762 0.7265 -0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8360 -0.2974 0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4819 -0.8226 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4218 0.2431 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8914 -0.4030 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0062 0.6164 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2489 -0.1209 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3183 -0.1252 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1727 0.4398 -1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0600 1.7671 -0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4977 0.7357 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5347 -1.1646 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8648 0.1066 1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5406 -1.3230 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2034 -1.6031 0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2686 0.7768 1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6677 0.9601 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1247 -1.2134 0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7737 -0.8840 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1154 1.1676 0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7145 1.3356 -1.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2242 -0.6459 -1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3183 0.4001 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1905 -0.6722 -0.2863 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