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
-1.8254 0.3532 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9450 -0.5389 0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3466 -0.6266 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9282 0.1823 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2267 0.1506 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9286 -0.0119 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4079 1.3895 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8284 0.4190 0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3732 -1.1426 1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9584 -1.2859 1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2958 0.8367 -0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6426 0.7588 -1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9103 -0.4841 -0.1218 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