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
-3.3009 0.0120 -1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0078 0.3523 -0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5930 -0.7223 0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2988 -0.3420 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8459 -0.1572 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0618 0.2162 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2611 0.4263 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2842 0.3067 -1.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1252 -0.4757 -2.1076 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9776 -0.5944 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8183 0.9697 -1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2304 0.4000 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1370 1.3033 0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3675 -0.7471 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5578 -1.7190 0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5021 0.5995 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0451 -1.1114 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9806 -1.0934 -0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6445 0.6555 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2804 -0.6391 1.7474 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8343 1.1531 1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1749 0.6978 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1905 0.4722 -1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4033 0.0369 -1.6504 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