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
3.1591 0.8646 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 -0.2037 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9868 0.2920 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1210 -0.7239 0.9309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7717 -1.0985 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4387 -0.0543 -1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6078 0.6140 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2225 0.2561 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9349 1.7284 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2606 1.2688 -1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1436 0.4855 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6584 -0.3340 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4898 -1.1823 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4227 0.4514 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6255 1.2493 0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7596 -0.3565 1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3561 -1.6643 1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5161 -1.8991 -0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0032 -1.6002 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 0.6918 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8656 -0.5744 -2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0395 1.5165 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9601 -0.5828 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0873 0.8557 0.9418 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