Monomers
2-Ethyl-1-butene
Identifiers
IUPAC name
3-methylidenepentane
InchI
InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3
InchI Key
RYKZRKKEYSRDNF-UHFFFAOYSA-N
SMILES
CCC(=C)CC
Canonical SMILES
CCC(=C)CC
Isomeric SMILES
CCC(=C)CC
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
2.3208 0.1869 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9108 0.6559 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0763 -0.4421 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3263 -1.6701 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5074 -0.1709 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0697 0.8253 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4809 -0.1750 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9868 1.0605 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5792 -0.5906 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8887 1.0358 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6930 1.4735 -0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3584 -2.5093 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3780 -1.8915 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1412 -1.0722 0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6575 0.2127 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0095 0.3547 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1634 0.9157 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5812 1.8008 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
3 5 1 0
5 6 1 0
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
2 11 1 0
4 12 1 0
4 13 1 0
5 14 1 0
5 15 1 0
6 16 1 0
6 17 1 0
6 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers