Monomers
1-Butene
Identifiers
IUPAC name
but-1-ene
InchI
InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
InchI Key
VXNZUUAINFGPBY-UHFFFAOYSA-N
SMILES
CCC=C
Canonical SMILES
CCC=C
Isomeric SMILES
CCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H8
Heavy Atom Count
4
Molecular Weight
56.108
Exact Molecular Weight
56.0626
Valence Electrons
24
Radical Electrons
0
tPSA
0.0
MolLogP
1.5824
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
12 11 0 0 0 0 0 0 0 0999 V2000
1.2073 0.5539 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4850 -0.7517 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9528 -0.6527 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5550 0.4976 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7523 1.3216 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2451 0.3603 0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3067 0.9311 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6624 -1.3169 1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9632 -1.3701 -0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5304 -1.5700 -0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6156 0.5918 -0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9682 1.4052 -0.1810 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
1 5 1 0
1 6 1 0
1 7 1 0
2 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers