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
-2.8985 0.1099 -0.7928 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3674 1.1893 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3186 0.6315 1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1384 0.0569 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8371 -0.4665 1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0678 -1.0701 0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8122 -0.1114 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9874 -0.3501 -1.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0208 0.0921 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5087 -0.8784 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6102 0.4083 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0265 2.0793 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2157 1.5185 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9486 1.4334 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 -0.1736 1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4778 -0.7824 -0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2884 0.8151 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1837 0.3224 2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3394 -1.2396 1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7214 -1.9552 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7642 -1.4790 1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2190 0.7865 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5877 -1.2520 -1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5282 0.3151 -2.1109 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