Monomers
1-Hexene
Identifiers
IUPAC name
hex-1-ene
InchI
InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
InchI Key
LIKMAJRDDDTEIG-UHFFFAOYSA-N
SMILES
CCCCC=C
Canonical SMILES
CCCCC=C
Isomeric SMILES
CCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H12
Heavy Atom Count
6
Molecular Weight
84.162
Exact Molecular Weight
84.0939
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
2.3626
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
18 17 0 0 0 0 0 0 0 0999 V2000
-2.3320 -0.2102 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4015 0.4682 0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0432 0.0533 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5315 0.3729 -0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9500 -0.0438 -0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6214 -0.6064 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6443 0.5457 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2820 -0.5536 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8681 -1.0499 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4651 1.5599 0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6739 0.1246 1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1632 -1.0486 0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6790 0.5815 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0814 -0.1219 -1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5125 1.4810 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4332 0.1236 -1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6476 -0.8925 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1666 -0.7840 1.0796 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 2 3
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
2 11 1 0
3 12 1 0
3 13 1 0
4 14 1 0
4 15 1 0
5 16 1 0
6 17 1 0
6 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers