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
-1.4785 0.5761 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4905 -0.5589 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8147 -0.1553 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9188 -0.0875 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5539 1.2013 -0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4949 0.1670 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 1.2117 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -0.8127 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8476 -1.5018 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8347 0.0846 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8746 0.2050 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8869 -0.3294 -1.3242 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