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
-2.2901 0.0445 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8789 -0.4415 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1420 0.1801 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5017 -0.2869 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5405 0.3018 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8413 -0.5783 0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2012 1.1058 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8130 -0.0087 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6825 -1.3059 -1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0577 1.0470 0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6717 -1.1780 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3654 1.1804 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5433 -0.0603 0.3214 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