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
-2.2440 -0.1256 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8580 -0.5353 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1353 0.2265 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4960 -0.2170 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.5472 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7184 -0.9191 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3092 0.8726 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7871 -0.0880 -0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7109 -1.4757 -0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0445 1.1511 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6951 -1.1481 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3152 1.4589 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5300 0.2525 -0.0097 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