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
-2.2539 -0.2867 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9688 0.4212 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 -0.2012 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4230 0.5347 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5705 -0.1100 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0864 0.3704 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1532 -1.0433 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4930 -0.7422 -0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9649 1.4765 -0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2024 -1.2694 0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4470 1.6114 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5745 -1.1924 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5198 0.4309 -0.1182 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