Monomers
1,3-Pentadiene
Identifiers
IUPAC name
(3E)-penta-1,3-diene
InchI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
InchI Key
PMJHHCWVYXUKFD-SNAWJCMRSA-N
SMILES
C/C=C/C=C
Canonical SMILES
CC=CC=C
Isomeric SMILES
C/C=C/C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8
Heavy Atom Count
5
Molecular Weight
68.119
Exact Molecular Weight
68.0626
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.7485
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
13 12 0 0 0 0 0 0 0 0999 V2000
-2.2729 0.1114 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9467 -0.5034 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.1999 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4758 -0.4416 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5638 0.3007 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0599 -0.4774 0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1960 1.1186 0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5797 0.3439 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8990 -1.5911 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1309 1.2732 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5595 -1.5209 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5246 1.3776 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5220 -0.1908 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 3
1 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
5 12 1 0
5 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers