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
1.8679 -0.0010 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5971 -0.7175 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5500 0.1632 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5213 1.4859 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8410 -0.5170 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6696 -0.7792 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8485 0.5063 1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1384 0.6655 -0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3381 -1.4117 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7863 -1.2788 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3587 2.1239 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4246 1.9640 0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9794 -1.4357 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7055 0.1427 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7146 -0.9106 -1.2994 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