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
1.7686 -0.0359 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6678 -0.5484 0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6780 -0.1625 0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -1.0535 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9494 1.2963 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1366 0.9757 0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4203 -0.0294 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6397 -0.7111 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6952 -0.1770 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7604 -1.6683 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3118 -2.1088 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5255 -0.7253 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4759 1.7953 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0323 1.5254 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5392 1.6277 -0.9136 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