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
2.2518 0.1048 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9473 -0.4904 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1589 0.1865 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4713 -0.3716 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5743 0.3177 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0211 -0.6896 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5764 0.7028 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1406 0.7069 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9424 -1.4776 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0867 1.1829 -0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 -1.3611 0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5287 -0.1148 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5688 1.3035 -0.1763 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