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
-1.9627 0.0340 -0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8689 -0.8919 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 -0.4644 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5966 0.0053 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8379 1.2475 -0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5972 -0.5973 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5268 0.9099 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5992 0.2835 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2574 -1.8141 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7129 -1.7101 0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5141 -0.4943 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8245 1.6472 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0205 1.8446 -0.8979 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