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
1.9099 -0.0133 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6463 -0.6378 0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5682 0.1317 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5019 1.2582 -0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8859 -0.3847 0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0773 -0.2550 -1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0293 1.0454 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7529 -0.5495 0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5386 -1.6322 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6714 -0.8144 1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4272 1.6983 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4017 1.8101 -0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2832 -1.0921 -0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6067 0.4257 0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 -0.9905 1.3830 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