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
1.9097 0.0957 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6851 -0.6755 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 0.0686 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5783 1.3254 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8970 -0.5356 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1521 0.8774 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9051 0.5169 -1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7751 -0.6243 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6381 -1.6031 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7909 -1.0101 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5002 1.9056 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3973 1.7723 -0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7723 -1.4916 0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4659 -0.7788 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4725 0.1571 0.9493 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