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
-1.4967 0.5453 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4521 -0.4640 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7694 -0.3572 0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9192 -0.0627 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0321 1.5482 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8258 0.3662 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3554 0.5032 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2222 -0.1954 -1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8650 -1.4909 -0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7575 -0.5194 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8568 0.0276 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9466 0.0992 -1.1437 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