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
3.7768 -0.1971 0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5135 0.6476 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3863 -0.3499 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0593 0.3222 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9709 -0.7733 -0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3461 -0.2245 -0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7943 0.6059 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8747 0.3260 1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6865 -1.0401 -0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8703 -0.5268 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6843 0.3994 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7110 1.2226 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3311 1.3416 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2992 -1.0469 0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -0.9738 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2198 0.8928 0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0662 1.0126 -1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6610 -1.3344 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9744 -1.4627 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3428 0.3540 -1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0442 -1.0826 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1706 1.4847 0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4531 -0.5427 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1814 0.9453 2.0055 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