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
1.9218 -0.0635 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5941 -0.7531 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5388 0.1615 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4590 1.4526 0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8970 -0.4754 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7093 -0.8370 -0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1105 0.4868 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9803 0.6344 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6152 -1.5377 0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4461 -1.2162 -1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3344 2.0395 0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5015 1.9271 0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9200 -1.3974 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6155 0.2735 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1140 -0.6949 1.1542 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