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
3.5748 0.7018 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5365 -0.3672 -0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 0.0907 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2394 -1.0816 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1769 -0.8499 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7283 0.3093 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1590 0.5597 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7949 -0.1606 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2349 1.6195 -0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4801 0.3616 -0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9091 0.8429 0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4720 -0.6068 -1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7829 -1.2957 0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8185 0.9761 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2037 0.3992 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6786 -1.9707 0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3281 -1.3256 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2389 -0.6463 1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7779 -1.7411 0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1614 1.2410 -0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6556 0.1078 -1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6675 1.3722 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2387 -0.9777 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8240 0.0501 1.0479 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