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
1.9123 0.2558 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7250 -0.6248 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5672 0.0814 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7074 1.3670 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8038 -0.7515 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8012 -0.3003 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1473 0.4488 -1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8761 1.2057 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7486 -1.2487 0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7313 -1.3644 -0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6749 1.8505 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1518 2.0080 -0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5879 -0.3326 -0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1353 -0.7799 1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6171 -1.8149 -0.1200 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