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
-2.1736 0.0338 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7548 -0.2682 0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.0402 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3758 0.2199 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5690 -0.1857 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4008 -0.3027 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3196 1.1485 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8451 -0.4096 1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5877 -0.8053 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6014 0.5731 -1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4335 0.7115 -1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4654 0.0051 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5985 -0.6800 0.5274 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