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
2.6924 -0.1027 -2.3207 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2554 0.3485 -2.2721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7782 0.2639 -0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6635 0.7238 -0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2727 0.6954 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2758 -0.6810 1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8969 -0.5754 2.5053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2084 -0.9125 3.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6739 -1.1722 -2.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3280 0.5027 -2.9717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1191 -0.1194 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1968 1.4447 -2.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6132 -0.2399 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3480 1.0104 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9152 -0.7495 -0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2153 0.1220 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6598 1.7794 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3095 1.0780 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7057 1.3783 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2129 -1.0133 1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7678 -1.4341 0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9040 -0.2277 2.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6431 -0.8450 4.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1847 -1.2744 3.5534 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