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
1.7287 -0.1357 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8057 0.3551 0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5792 0.1859 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3809 1.2292 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1242 -1.1545 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 0.6723 -1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 -0.3051 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2992 -1.0326 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0069 1.4279 0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0146 -0.1926 1.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 1.0804 -0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0032 2.2263 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3650 -1.9455 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0351 -1.2983 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4607 -1.1130 -1.2306 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