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
-2.1365 0.5658 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3973 -0.7665 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 -0.4990 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4163 -1.1493 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8397 0.4738 -0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2062 0.6177 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1320 0.4270 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5776 1.3224 0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2004 0.9769 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9060 -1.5393 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3477 -1.1202 -1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2064 -1.8599 1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4166 -1.0043 1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9289 0.1925 -1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3747 1.4879 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1682 0.8245 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7497 -0.3455 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 1.3954 -0.4437 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