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
3.0068 0.4243 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9477 -0.1181 0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1937 -1.2362 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 -0.8248 -1.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5263 0.2587 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6239 -0.1442 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5567 1.0255 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8288 0.9179 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5310 0.8544 -0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6255 1.1797 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6593 -0.4370 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5139 -0.5715 1.7329 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 0.6598 1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9343 -2.0154 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4927 -1.7001 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0467 -1.7178 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2092 -0.5361 -1.8292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0154 0.4319 -1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1147 1.2136 -0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1702 -1.0476 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1943 -0.3067 1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1360 1.9490 0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4773 1.7617 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2261 -0.0209 -0.4816 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