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
3.3223 0.1673 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7998 -0.8111 0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4175 -0.4697 1.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3974 -0.4429 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9402 -0.0853 0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0425 -0.0304 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2971 0.3208 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9317 1.4257 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7973 -0.4356 -1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1541 0.8022 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5776 0.8581 -0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8377 -1.8710 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4758 -0.7584 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1359 -1.1974 1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4761 0.5290 1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6236 0.2722 -0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3475 -1.4559 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2068 -0.8394 1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8038 0.9236 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8400 0.6691 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1889 -1.0805 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6967 -0.2908 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5775 2.0925 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8374 1.7077 0.4324 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