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
-2.2942 0.6416 0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6721 -0.5748 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2150 -0.7413 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 0.3863 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0679 0.1387 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0135 0.0355 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3870 0.4600 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9323 0.8774 1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1938 1.5027 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8073 -0.5155 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2521 -1.4590 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1275 -1.7045 -0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0854 -0.8207 1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5752 0.3681 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3061 1.3731 0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3577 0.0367 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7167 0.1385 -1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0366 -0.1430 -0.5443 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