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
-3.5738 -0.0597 1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0829 0.2242 0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6835 0.4929 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 0.7777 -0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6570 -0.3592 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0942 0.0959 -0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0633 -0.9189 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9182 -0.6353 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1384 0.9118 1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7921 -0.6564 1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9187 -0.5491 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8167 1.0516 1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5452 -0.6840 1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2412 1.3771 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8797 -0.4093 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0469 1.6566 0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0868 0.9811 -1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4476 -0.5123 0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4435 -1.3058 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2848 0.4254 -1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 0.9981 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0673 -1.8999 -0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9109 0.3352 1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6590 -1.3377 1.4594 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