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
-2.2825 0.1605 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9235 -0.3854 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1663 0.1490 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5034 -0.3679 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5723 0.1844 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8075 0.2799 -0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8951 -0.5580 0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2117 1.1544 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 -1.2723 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0803 1.0331 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5973 -1.2603 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4894 1.0857 1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5612 -0.2030 0.4495 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