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
1.5485 0.2828 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3797 -0.2270 0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8314 -0.4535 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9817 0.1618 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3286 1.2257 -0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9827 -0.4573 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3534 0.5324 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 0.4952 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6966 -1.2272 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7460 -1.1863 -1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0597 0.8761 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8534 -0.0227 -0.7245 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