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
-2.2645 0.1915 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9633 -0.4169 0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1619 0.1760 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4482 -0.4291 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5829 0.1623 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1192 1.2466 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8813 0.1849 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7632 -0.3252 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9421 -1.3663 0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1413 1.1325 -0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.3747 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6131 1.1073 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5220 -0.2891 0.0810 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