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
-3.3177 0.8332 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8519 -0.5672 0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5232 -0.8686 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4430 0.0026 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9074 -0.3159 -0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9187 0.6144 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2522 0.3487 -0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2358 -0.0567 0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1052 0.8642 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7660 1.1693 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5630 1.5626 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5862 -1.3042 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7922 -0.8574 1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2609 -1.9228 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 -0.8533 -1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6096 1.0713 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3233 -0.1922 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2186 -1.3541 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9006 -0.1904 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8926 0.3389 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 1.6431 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4516 0.4774 -1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2293 -0.2539 -0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0603 -0.1890 1.3406 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