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
2.4466 -0.1897 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2613 -0.7556 0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 -0.0515 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0081 0.9418 -0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2875 -0.4282 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4163 0.4292 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5408 0.8852 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3360 -0.2682 -1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3866 -0.6764 -0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1481 -1.8123 -0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5060 -0.7263 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9121 1.4868 -1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9561 1.2162 -1.4126 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2615 -0.4528 1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4937 -1.4825 0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3451 0.0588 0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2970 1.4946 0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5836 0.3309 -1.0616 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