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
-2.2593 0.0562 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4087 -0.9683 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1083 -0.2489 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4955 0.1582 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7835 0.8726 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9080 0.3807 0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0815 -0.0036 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0545 1.0327 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3196 -0.2120 0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9350 -1.2973 -1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2567 -1.8023 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5747 -0.8560 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3014 0.6993 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6841 -0.7721 1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2394 0.8275 1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7633 1.7619 -0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9241 -0.5160 1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8311 0.8876 0.5506 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