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
1.6823 0.6129 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8586 -0.6196 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5674 -0.2927 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1011 -0.5864 -1.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3906 0.3449 0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7361 0.3681 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3252 1.4804 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6635 0.8165 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9221 -1.3026 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3051 -1.0739 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1424 -0.3505 -1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5446 -1.0488 -2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2893 -0.1499 1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4356 0.4027 0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 1.3988 0.9730 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