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
3.4929 -0.4989 -0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 0.0151 -0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6455 0.6142 0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2405 1.1685 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6933 0.0342 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1471 0.4944 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9412 -0.7101 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8670 -1.1309 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9312 -0.7185 -1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5013 -1.4814 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1509 0.1902 -0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0871 0.7818 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4763 -0.8367 -1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3483 1.4217 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6435 -0.1999 1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1819 1.9744 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0014 1.5532 1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6615 -0.7370 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4768 -0.3543 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2856 1.3130 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4717 0.8951 1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7298 -1.2109 -1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4845 -2.0110 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0141 -0.5659 1.4650 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