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
3.3149 -0.2731 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8613 0.2119 0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4403 0.6988 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4454 -0.3528 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9381 0.2927 0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0269 -0.6920 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3168 0.0100 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0948 0.1288 -0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7433 -1.2956 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1296 0.3653 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5076 -0.2834 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5039 1.0837 0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0568 -0.5601 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2076 1.0397 1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3669 1.5457 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5617 -0.7046 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4790 -1.2296 0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0428 0.6729 1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9161 1.1273 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 -0.9848 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9706 -1.5894 0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6362 0.4354 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7954 -0.2875 -1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0380 0.6406 -0.8704 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