Monomers
2-Methyl-1-butene
Identifiers
IUPAC name
2-methylbut-1-ene
InchI
InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3
InchI Key
MHNNAWXXUZQSNM-UHFFFAOYSA-N
SMILES
CCC(=C)C
Canonical SMILES
CCC(=C)C
Isomeric SMILES
CCC(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H10
Heavy Atom Count
5
Molecular Weight
70.135
Exact Molecular Weight
70.0783
Valence Electrons
30
Radical Electrons
0
tPSA
0.0
MolLogP
1.9725
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
15 14 0 0 0 0 0 0 0 0999 V2000
-1.7795 -0.1414 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7032 -0.6658 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6269 -0.0932 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6146 -0.9047 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9360 1.3600 0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1411 0.8314 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5009 -0.0980 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6360 -0.8574 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9952 -0.3750 1.5612 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6648 -1.7714 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4266 -1.9784 -0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6188 -0.5019 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7717 1.5196 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3425 1.7210 -0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0835 1.9551 0.7439 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
1 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
2 10 1 0
4 11 1 0
4 12 1 0
5 13 1 0
5 14 1 0
5 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers