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
2.2760 -0.0171 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8748 0.1812 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1499 -0.0806 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4757 0.1434 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5124 -0.1170 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4855 -1.1009 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9832 0.5083 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4229 0.3377 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7261 0.5515 -1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 -0.4509 1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6615 0.5094 -1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3975 -0.4943 1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5363 0.0292 0.1559 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