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
-1.7346 -0.1812 -0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6603 -0.7694 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5630 0.0350 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0593 0.6434 1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2765 0.2085 -1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8743 -0.8936 -1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4205 0.7831 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6893 -0.0169 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0354 -0.6394 1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5331 -1.8416 0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9503 1.2339 1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 0.5668 2.3345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3365 -0.1243 -0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 1.2959 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8113 -0.3003 -1.8471 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