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
-1.4557 -0.5520 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3946 0.4755 -0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6835 0.3646 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9018 0.0509 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3264 -0.0218 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0895 -1.2592 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7467 -1.1355 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8481 1.4825 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0044 0.2168 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4848 0.5364 1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0552 -0.1102 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7402 -0.0482 0.8413 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