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
1.8059 -0.2573 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7264 0.4986 -0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 0.2462 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2899 1.2786 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2059 -1.1303 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7264 0.3662 0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0021 -1.1921 -0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4850 -0.5276 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7179 0.1856 -1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9615 1.5806 -0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8770 2.2677 0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2761 1.1019 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9500 -1.7264 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9012 -1.6823 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3141 -1.0094 0.0325 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