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
-2.4833 0.0475 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2460 -0.7991 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0003 -0.0014 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0022 1.3028 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2902 -0.7154 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4788 0.1836 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6176 0.4118 -1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4898 0.9216 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3537 -0.6296 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2389 -1.5261 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3326 -1.3310 1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 1.8120 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9503 1.8503 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3159 -1.5863 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3105 -1.1285 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3871 -0.4554 0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5280 0.7007 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4440 0.9425 0.8117 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