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
-2.2183 -0.0518 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0188 0.0510 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1879 -0.0210 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3699 0.0755 0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5500 0.0033 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3067 -1.1131 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1289 0.3054 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0064 0.5749 -1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1683 0.1814 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3094 -0.1521 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2842 0.2058 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6648 -0.1299 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4809 0.0706 0.8012 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