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
1.8926 -0.0773 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5435 -0.7487 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5491 0.1500 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3645 1.4091 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9365 -0.4369 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9236 0.8463 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1415 0.1303 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6311 -0.8404 -0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5692 -1.5814 0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4421 -1.1661 -1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6440 1.7864 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1572 2.0707 0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3876 -0.1098 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9047 -1.5161 0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4879 0.0840 0.9304 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