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
1.9238 -0.0193 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6155 -0.7291 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5568 0.1288 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4402 1.3886 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9078 -0.4713 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0038 0.3748 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0545 0.8103 -0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7293 -0.7758 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5647 -1.5959 0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5724 -1.1008 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3202 1.9860 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5271 1.8439 0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0163 -0.8959 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0383 -1.2313 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7116 0.2870 -0.0448 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