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
-2.5630 1.3913 1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5571 0.2792 1.5788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1573 0.1048 0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1563 -1.0282 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3516 -1.3437 -1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 -0.1638 -1.9306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1951 0.2409 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4054 0.2287 -1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5840 0.9126 1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5043 2.1469 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4405 1.9011 2.7177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9452 -0.7021 1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6284 0.5062 2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7157 1.0172 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0283 -0.1537 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5904 -1.9639 0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7196 -0.7981 0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0489 -2.1905 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5202 -1.5889 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4150 -0.4884 -2.9109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3420 0.6938 -1.9914 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0263 0.5449 -0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2401 0.5251 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6045 -0.0715 -2.6143 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