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
3.1677 0.6520 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6228 -0.6137 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1291 -0.5820 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3467 -0.3393 0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1310 -0.3316 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5267 0.7412 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9906 0.6924 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7211 -0.2276 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2462 0.7261 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6743 1.5492 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1987 0.6766 1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -1.4645 0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0869 -0.7541 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9357 0.2263 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8480 -1.5369 -0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5010 -1.0935 1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5874 0.6518 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3788 -1.3360 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7305 -0.1628 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2338 1.7470 -0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 0.5894 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4478 1.4080 -1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7937 -0.2501 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3300 -0.9678 0.4617 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