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
1.8398 -0.0756 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6674 0.5898 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 0.1676 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4661 1.0481 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0818 -1.2596 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7552 0.4769 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9633 -1.1328 0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6810 -0.0108 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7821 1.6788 0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.4260 2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2140 2.1186 -0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4292 0.7873 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0848 -1.3430 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1353 -1.5569 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3820 -1.9145 0.9362 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