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
2.2354 -0.7224 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4778 0.5150 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0159 0.4205 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4990 1.2285 0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8733 -0.5067 -0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2896 -0.3418 -0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6499 -1.5693 0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0270 -0.5196 0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7997 -1.0472 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5955 0.8070 -1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8772 1.3670 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1170 1.9478 1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5547 1.1991 1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8761 -0.2587 -1.7369 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6045 -1.5703 -0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9640 -1.0439 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4471 -0.5841 0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6871 0.6793 -0.4007 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