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
3.2364 0.9703 -0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9228 0.1807 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5663 -0.2706 0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2973 -1.0782 0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8443 -0.2625 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1619 -1.0027 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2225 -0.1002 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0047 1.1252 -0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2232 1.5958 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0526 0.2231 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3782 1.6436 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0410 -0.6340 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1542 0.9348 -1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4873 0.6660 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4156 -0.8407 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3969 -2.0048 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1091 -1.4125 1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6278 0.0536 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9402 0.6395 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0545 -1.8841 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3661 -1.4136 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2725 -0.4404 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0066 1.5231 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7798 1.7887 -0.9919 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