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
1.9168 0.1180 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6358 -0.4822 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5641 0.0773 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5269 1.0365 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8907 -0.4517 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7383 -0.3095 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1260 -0.2399 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9707 1.2047 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5368 -0.3985 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6836 -1.5802 -0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4289 1.4582 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4249 1.4402 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7663 -1.5496 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6572 -0.3311 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2067 0.0078 -1.2767 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